============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 9 0.840 -30.464 6.171 -7.404 -99.200 -91.000 TYR 15 0.840 -19.148 2.496 -3.676 -99.200 -91.000 PHE 18 1.000 -14.164 -3.087 -15.538 -99.200 -91.000 TYR 19 0.840 -12.580 -11.545 -13.549 -99.200 -91.000 TYR 27 0.840 0.774 -14.187 -22.207 -99.200 -91.000 HIS 29 0.900 1.130 -5.336 -29.394 -99.200 -91.000 TYR 30 0.840 1.087 -4.525 -23.851 -99.200 -91.000 TYR 42 0.840 -2.596 -3.724 -11.207 -99.200 -91.000 TYR 52 0.840 -17.644 5.934 -15.680 -99.200 -91.000 PHE 57 1.000 -22.120 4.611 -11.443 -99.200 -91.000 HIS 58 0.900 -13.327 3.630 -6.611 -99.200 -91.000 TRP 67 1.040 -8.778 -16.024 -20.901 -99.200 -91.000 TRP6 67 1.020 -10.480 -15.271 -22.361 -99.200 -91.000 PHE 86 1.000 -16.028 -10.719 -21.829 -99.200 -91.000 TRP 89 1.040 -15.652 -17.460 -20.511 -99.200 -91.000 TRP6 89 1.020 -14.584 -15.934 -19.051 -99.200 -91.000 PHE 111 1.000 -12.889 -6.199 -31.515 -99.200 -91.000 TYR 120 0.840 -24.748 -7.427 -24.873 -99.200 -91.000 TYR 137 0.840 -7.854 2.284 -29.437 -99.200 -91.000 HIS 150 0.900 -19.353 6.459 -24.282 -99.200 -91.000 HIS 154 0.900 -22.119 3.268 -25.886 -99.200 -91.000 HIS 160 0.900 -24.089 2.910 -29.836 -99.200 -91.000 PHE 164 1.000 -18.465 15.154 -30.095 -99.200 -91.000 PHE 169 1.000 -20.694 20.704 -21.873 -99.200 -91.000 TYR 170 0.840 -10.074 12.973 -18.571 -99.200 -91.000 PHE 172 1.000 -18.806 9.417 -19.959 -99.200 -91.000 HIS 180 0.900 -24.931 7.425 -15.611 -99.200 -91.000 TYR 183 0.840 -29.520 1.663 -17.003 -99.200 -91.000 TYR 210 0.840 -11.950 12.147 -4.248 -99.200 -91.000 PHE 211 1.000 -13.539 1.539 -2.302 -99.200 -91.000 HIS 240 0.900 -5.290 13.441 19.074 -99.200 -91.000 PHE 255 1.000 -18.077 4.852 14.483 -99.200 -91.000 PHE 287 1.000 -35.066 -4.335 -1.542 -99.200 -91.000 TYR 300 0.840 -51.738 -8.168 -1.215 -99.200 -91.000 TYR 302 0.840 -41.449 -11.857 -5.397 -99.200 -91.000 PHE 329 1.000 -55.574 -11.528 -17.027 -99.200 -91.000 TYR 345 0.840 -41.133 -34.236 -21.677 -99.200 -91.000 PHE 362 1.000 -54.165 -13.168 -22.147 -99.200 -91.000 TYR 382 0.840 -41.263 -10.146 -23.986 -99.200 -91.000 TYR 409 0.840 -45.129 -13.112 -0.281 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k7lA1 THR 192 HA -0.00 -0.04 0.15 -0.75 4.39 3.74 3k7lA1 THR 192 HB -0.00 -0.01 -0.07 -0.04 4.32 4.21 3k7lA1 THR 192 HG23 0.00 -0.00 0.01 -0.04 1.22 1.19 3k7lA1 ASN 193 H 0.00 0.13 0.05 -0.55 8.53 8.17 3k7lA1 ASN 193 HA -0.00 0.02 0.48 -0.75 4.76 4.50 3k7lA1 ASN 193 HB2 0.01 -0.01 0.14 -0.04 2.88 2.98 3k7lA1 ASN 193 HB3 0.01 0.01 -0.07 -0.04 2.79 2.71 3k7lA1 ASN 193 HD21 0.01 0.04 -0.04 -0.04 7.03 7.00 3k7lA1 ASN 193 HD22 0.02 -0.01 -0.03 -0.04 7.74 7.67 3k7lA1 THR 194 H -0.01 0.13 0.23 -0.55 8.28 8.08 3k7lA1 THR 194 HA 0.00 0.18 0.47 -0.75 4.39 4.28 3k7lA1 THR 194 HB -0.00 -0.01 0.16 -0.04 4.32 4.42 3k7lA1 THR 194 HG23 -0.01 0.04 0.12 -0.04 1.22 1.33 3k7lA1 PRO 195 HA 0.01 0.11 0.53 -0.51 4.44 4.59 3k7lA1 PRO 195 HB2 0.01 0.04 -0.03 -0.04 2.28 2.26 3k7lA1 PRO 195 HB3 0.01 0.06 0.12 -0.04 2.02 2.17 3k7lA1 PRO 195 HG2 0.00 -0.02 0.11 -0.04 2.03 2.08 3k7lA1 PRO 195 HG3 0.00 0.06 0.09 -0.04 2.03 2.15 3k7lA1 PRO 195 HD2 0.00 0.07 0.26 -0.04 3.68 3.97 3k7lA1 PRO 195 HD3 0.00 0.19 0.17 -0.04 3.65 3.97 3k7lA1 GLU 196 H 0.01 0.10 -0.27 -0.55 8.60 7.89 3k7lA1 GLU 196 HA 0.03 0.10 0.31 -0.75 4.29 3.98 3k7lA1 GLU 196 HB2 0.02 0.02 0.05 -0.04 2.09 2.13 3k7lA1 GLU 196 HB3 0.01 -0.05 0.07 -0.04 1.99 1.97 3k7lA1 GLU 196 HG2 -0.00 0.14 -0.01 -0.04 2.34 2.43 3k7lA1 GLU 196 HG3 -0.01 -0.03 -0.04 -0.04 2.34 2.21 3k7lA1 GLN 197 H 0.01 0.19 -0.40 -0.55 8.47 7.73 3k7lA1 GLN 197 HA 0.04 0.13 0.46 -0.75 4.36 4.23 3k7lA1 GLN 197 HB2 0.01 0.04 0.12 -0.04 2.15 2.28 3k7lA1 GLN 197 HB3 0.01 0.05 0.06 -0.04 2.02 2.10 3k7lA1 GLN 197 HG2 -0.07 0.12 0.04 -0.04 2.40 2.45 3k7lA1 GLN 197 HG3 -0.02 -0.13 0.06 -0.04 2.39 2.25 3k7lA1 GLN 197 HE21 -0.04 0.00 0.03 -0.04 6.97 6.92 3k7lA1 GLN 197 HE22 -0.07 0.13 0.04 -0.04 7.69 7.75 3k7lA1 ASP 198 H 0.03 0.42 -0.10 -0.55 8.40 8.20 3k7lA1 ASP 198 HA 0.04 0.02 0.21 -0.75 4.63 4.14 3k7lA1 ASP 198 HB2 0.02 0.06 0.09 -0.04 2.71 2.84 3k7lA1 ASP 198 HB3 0.02 -0.02 0.02 -0.04 2.70 2.68 3k7lA1 ARG 199 H 0.05 0.21 -0.73 -0.55 8.46 7.44 3k7lA1 ARG 199 HA 0.01 0.07 0.45 -0.75 4.34 4.12 3k7lA1 ARG 199 HB2 0.03 0.17 0.09 -0.04 1.90 2.15 3k7lA1 ARG 199 HB3 0.04 -0.01 0.01 -0.04 1.80 1.80 3k7lA1 ARG 199 HG2 0.01 -0.06 -0.03 -0.04 1.67 1.55 3k7lA1 ARG 199 HG3 0.01 0.01 -0.02 -0.04 1.67 1.63 3k7lA1 ARG 199 HD2 0.01 -0.00 -0.12 -0.04 3.22 3.06 3k7lA1 ARG 199 HD3 0.01 -0.05 -0.04 -0.04 3.22 3.10 3k7lA1 TYR 200 H 0.15 0.63 0.15 -0.55 8.29 8.67 3k7lA1 TYR 200 HA -0.02 -0.01 0.64 -0.75 4.56 4.41 3k7lA1 TYR 200 HB2 -0.02 -0.06 0.18 -0.04 3.06 3.11 3k7lA1 TYR 200 HB3 -0.02 0.17 0.27 -0.04 2.98 3.35 3k7lA1 TYR 200 HD2 -0.03 -0.02 -0.09 -0.04 7.15 6.97 3k7lA1 TYR 200 HE2 -0.04 -0.03 -0.12 -0.04 6.85 6.63 3k7lA1 LEU 201 H 0.07 0.40 -0.48 -0.55 8.37 7.82 3k7lA1 LEU 201 HA -0.19 0.05 0.29 -0.75 4.35 3.75 3k7lA1 LEU 201 HB2 0.03 0.05 0.02 -0.04 1.64 1.70 3k7lA1 LEU 201 HB3 -0.01 -0.04 0.03 -0.04 1.64 1.59 3k7lA1 LEU 201 HG 0.00 -0.01 0.03 -0.04 1.64 1.62 3k7lA1 LEU 201 HD13 0.19 0.03 -0.09 -0.04 0.93 1.02 3k7lA1 LEU 201 HD23 0.04 -0.05 -0.11 -0.04 0.89 0.73 3k7lA1 GLN 202 H -0.12 0.30 -0.76 -0.55 8.47 7.34 3k7lA1 GLN 202 HA -0.08 0.15 0.68 -0.75 4.36 4.35 3k7lA1 GLN 202 HB2 -0.04 0.10 0.08 -0.04 2.15 2.25 3k7lA1 GLN 202 HB3 -0.04 -0.12 0.08 -0.04 2.02 1.91 3k7lA1 GLN 202 HG2 -0.02 0.06 -0.25 -0.04 2.40 2.15 3k7lA1 GLN 202 HG3 -0.01 -0.08 0.00 -0.04 2.39 2.26 3k7lA1 GLN 202 HE21 0.00 -0.07 -0.01 -0.04 6.97 6.85 3k7lA1 GLN 202 HE22 -0.00 -0.04 -0.02 -0.04 7.69 7.58 3k7lA1 ALA 203 H -0.21 0.24 -0.01 -0.55 8.40 7.88 3k7lA1 ALA 203 HA -0.10 -0.09 0.65 -0.75 4.34 4.05 3k7lA1 ALA 203 HB3 -0.15 0.00 0.19 -0.04 1.41 1.40 3k7lA1 LYS 204 H -0.12 -0.02 0.23 -0.55 8.42 7.97 3k7lA1 LYS 204 HA -0.28 0.18 0.66 -0.75 4.32 4.13 3k7lA1 LYS 204 HB2 -0.20 -0.06 -0.02 -0.04 1.87 1.56 3k7lA1 LYS 204 HB3 -0.28 0.01 0.08 -0.04 1.79 1.55 3k7lA1 LYS 204 HG2 -0.07 0.07 0.23 -0.04 1.46 1.65 3k7lA1 LYS 204 HG3 0.01 -0.09 0.14 -0.04 1.46 1.48 3k7lA1 LYS 204 HD2 0.03 0.02 0.04 -0.04 1.69 1.74 3k7lA1 LYS 204 HD3 -0.01 0.02 0.07 -0.04 1.68 1.71 3k7lA1 LYS 204 HE2 0.04 -0.00 0.03 -0.04 2.99 3.02 3k7lA1 LYS 204 HE3 0.04 -0.01 0.07 -0.04 2.99 3.05 3k7lA1 LYS 205 H -0.62 0.84 0.46 -0.55 8.42 8.54 3k7lA1 LYS 205 HA -0.42 0.25 0.79 -0.75 4.32 4.18 3k7lA1 LYS 205 HB2 -1.99 -0.17 -0.13 -0.04 1.87 -0.46 3k7lA1 LYS 205 HB3 -0.72 -0.02 0.05 -0.04 1.79 1.06 3k7lA1 LYS 205 HG2 -0.61 0.24 -0.19 -0.04 1.46 0.86 3k7lA1 LYS 205 HG3 -0.92 -0.10 -0.10 -0.04 1.46 0.30 3k7lA1 LYS 205 HD2 -0.32 -0.09 -0.10 -0.04 1.69 1.14 3k7lA1 LYS 205 HD3 -0.40 0.10 -0.19 -0.04 1.68 1.15 3k7lA1 LYS 205 HE2 -0.30 -0.12 -0.08 -0.04 2.99 2.45 3k7lA1 LYS 205 HE3 -0.82 -0.09 -0.06 -0.04 2.99 1.98 3k7lA1 TYR 206 H -0.04 0.73 0.31 -0.55 8.29 8.74 3k7lA1 TYR 206 HA 0.00 0.14 1.16 -0.75 4.56 5.11 3k7lA1 TYR 206 HB2 0.01 0.20 -0.04 -0.04 3.06 3.20 3k7lA1 TYR 206 HB3 0.01 -0.10 -0.09 -0.04 2.98 2.76 3k7lA1 TYR 206 HD2 0.02 0.08 -0.30 -0.04 7.15 6.91 3k7lA1 TYR 206 HE2 0.18 0.01 -0.16 -0.04 6.85 6.83 3k7lA1 ILE 207 H 0.11 0.66 0.32 -0.55 8.25 8.79 3k7lA1 ILE 207 HA 0.13 0.18 0.92 -0.75 4.18 4.65 3k7lA1 ILE 207 HB -0.06 -0.06 0.05 -0.04 1.89 1.79 3k7lA1 ILE 207 HG12 0.12 0.03 -0.12 -0.04 1.49 1.48 3k7lA1 ILE 207 HG13 0.27 0.02 -0.49 -0.04 1.21 0.97 3k7lA1 ILE 207 HG23 0.05 -0.03 -0.35 -0.04 0.93 0.56 3k7lA1 ILE 207 HD13 -0.24 -0.00 -0.18 -0.04 0.88 0.41 3k7lA1 GLU 208 H 0.11 0.22 0.06 -0.55 8.60 8.44 3k7lA1 GLU 208 HA 0.09 0.21 0.93 -0.75 4.29 4.77 3k7lA1 GLU 208 HB2 0.09 -0.17 0.21 -0.04 2.09 2.18 3k7lA1 GLU 208 HB3 0.08 0.10 0.01 -0.04 1.99 2.14 3k7lA1 GLU 208 HG2 0.04 0.01 -0.04 -0.04 2.34 2.32 3k7lA1 GLU 208 HG3 0.07 0.02 -0.04 -0.04 2.34 2.34 3k7lA1 PHE 209 H 0.20 0.81 0.34 -0.55 8.34 9.13 3k7lA1 PHE 209 HA 0.07 0.08 0.16 -0.75 4.62 4.18 3k7lA1 PHE 209 HB2 -0.01 0.03 -0.15 -0.04 3.15 2.98 3k7lA1 PHE 209 HB3 0.00 -0.08 -0.15 -0.04 3.06 2.79 3k7lA1 PHE 209 HD2 0.02 -0.01 -0.24 -0.04 7.28 7.02 3k7lA1 PHE 209 HE2 0.04 -0.02 -0.27 -0.04 7.38 7.09 3k7lA1 PHE 209 HZ 0.03 -0.03 -0.18 -0.04 7.32 7.10 3k7lA1 TYR 210 H 0.00 0.39 0.16 -0.55 8.29 8.29 3k7lA1 TYR 210 HA -0.15 0.20 0.93 -0.75 4.56 4.79 3k7lA1 TYR 210 HB2 -0.01 0.10 -0.01 -0.04 3.06 3.09 3k7lA1 TYR 210 HB3 -0.02 -0.01 0.20 -0.04 2.98 3.11 3k7lA1 TYR 210 HD2 0.04 -0.00 -0.30 -0.04 7.15 6.84 3k7lA1 TYR 210 HE2 0.11 -0.02 -0.15 -0.04 6.85 6.75 3k7lA1 VAL 211 H -0.48 0.61 0.30 -0.55 8.24 8.13 3k7lA1 VAL 211 HA -0.26 0.23 1.18 -0.75 4.13 4.52 3k7lA1 VAL 211 HB -0.27 -0.00 0.06 -0.04 2.12 1.86 3k7lA1 VAL 211 HG13 -0.19 -0.03 -0.32 -0.04 0.97 0.40 3k7lA1 VAL 211 HG23 -0.38 -0.01 -0.15 -0.04 0.95 0.37 3k7lA1 VAL 212 H -0.17 0.47 0.33 -0.55 8.24 8.33 3k7lA1 VAL 212 HA -0.31 0.33 0.88 -0.75 4.13 4.27 3k7lA1 VAL 212 HB -0.33 -0.04 0.22 -0.04 2.12 1.93 3k7lA1 VAL 212 HG13 -1.28 -0.02 -0.13 -0.04 0.97 -0.50 3k7lA1 VAL 212 HG23 0.32 0.01 -0.22 -0.04 0.95 1.03 3k7lA1 VAL 213 H -0.41 0.65 0.37 -0.55 8.24 8.31 3k7lA1 VAL 213 HA -0.25 0.35 1.12 -0.75 4.13 4.60 3k7lA1 VAL 213 HB -0.17 -0.07 0.11 -0.04 2.12 1.94 3k7lA1 VAL 213 HG13 -0.03 0.03 -0.15 -0.04 0.97 0.78 3k7lA1 VAL 213 HG23 -0.16 0.02 -0.15 -0.04 0.95 0.61 3k7lA1 ASP 214 H -0.16 0.37 0.35 -0.55 8.40 8.41 3k7lA1 ASP 214 HA -0.01 0.18 0.46 -0.75 4.63 4.51 3k7lA1 ASP 214 HB2 0.24 0.03 0.16 -0.04 2.71 3.10 3k7lA1 ASP 214 HB3 -0.13 0.16 0.09 -0.04 2.70 2.78 3k7lA1 ASN 215 H 0.27 0.15 0.18 -0.55 8.53 8.58 3k7lA1 ASN 215 HA 0.21 0.24 0.20 -0.75 4.76 4.65 3k7lA1 ASN 215 HB2 0.15 0.02 -0.00 -0.04 2.88 3.01 3k7lA1 ASN 215 HB3 0.12 -0.06 0.04 -0.04 2.79 2.85 3k7lA1 ASN 215 HD21 0.19 0.10 -0.16 -0.04 7.03 7.12 3k7lA1 ASN 215 HD22 0.09 -0.03 -0.53 -0.04 7.74 7.23 3k7lA1 ILE 216 H 0.08 0.02 -0.17 -0.55 8.25 7.63 3k7lA1 ILE 216 HA 0.07 0.22 0.52 -0.75 4.18 4.23 3k7lA1 ILE 216 HB -0.00 -0.20 0.04 -0.04 1.89 1.69 3k7lA1 ILE 216 HG12 0.04 -0.07 -0.01 -0.04 1.49 1.40 3k7lA1 ILE 216 HG13 0.00 0.05 -0.05 -0.04 1.21 1.18 3k7lA1 ILE 216 HG23 -0.02 0.04 -0.21 -0.04 0.93 0.70 3k7lA1 ILE 216 HD13 0.03 0.04 -0.07 -0.04 0.88 0.84 3k7lA1 MET 217 H 0.05 0.12 -0.11 -0.55 8.47 7.98 3k7lA1 MET 217 HA 0.06 0.16 0.34 -0.75 4.52 4.33 3k7lA1 MET 217 HB2 0.00 -0.15 0.01 -0.04 2.15 1.97 3k7lA1 MET 217 HB3 0.05 0.09 0.07 -0.04 2.03 2.20 3k7lA1 MET 217 HG2 0.22 0.03 -0.25 -0.04 2.63 2.59 3k7lA1 MET 217 HG3 0.28 0.07 -0.04 -0.04 2.56 2.82 3k7lA1 MET 217 HE3 -0.09 0.02 -0.11 -0.04 2.10 1.87 3k7lA1 TYR 218 H 0.22 0.26 -0.41 -0.55 8.29 7.81 3k7lA1 TYR 218 HA 0.08 0.03 0.15 -0.75 4.56 4.06 3k7lA1 TYR 218 HB2 0.03 -0.03 -0.15 -0.04 3.06 2.87 3k7lA1 TYR 218 HB3 0.05 0.09 0.04 -0.04 2.98 3.13 3k7lA1 TYR 218 HD2 0.03 0.01 -0.09 -0.04 7.15 7.06 3k7lA1 TYR 218 HE2 0.03 0.10 -0.03 -0.04 6.85 6.91 3k7lA1 ARG 219 H 0.14 0.64 -0.05 -0.55 8.46 8.64 3k7lA1 ARG 219 HA -0.28 -0.00 0.43 -0.75 4.34 3.74 3k7lA1 ARG 219 HB2 0.02 0.02 0.09 -0.04 1.90 1.99 3k7lA1 ARG 219 HB3 -0.04 -0.01 0.08 -0.04 1.80 1.79 3k7lA1 ARG 219 HG2 0.04 -0.02 0.02 -0.04 1.67 1.67 3k7lA1 ARG 219 HG3 0.14 0.16 0.08 -0.04 1.67 2.00 3k7lA1 ARG 219 HD2 0.07 0.03 0.00 -0.04 3.22 3.28 3k7lA1 ARG 219 HD3 0.05 -0.04 -0.01 -0.04 3.22 3.18 3k7lA1 HIS 220 H 0.10 0.35 -0.56 -0.55 8.41 7.76 3k7lA1 HIS 220 HA -0.13 0.02 0.34 -0.75 4.63 4.10 3k7lA1 HIS 220 HB2 -0.10 0.01 0.10 -0.04 3.26 3.23 3k7lA1 HIS 220 HB3 -0.13 0.12 0.13 -0.04 3.20 3.28 3k7lA1 HIS 220 HD2 -0.92 -0.01 -0.15 -0.04 6.97 5.84 3k7lA1 HIS 220 HE1 -0.13 -0.02 -0.01 -0.04 7.75 7.55 3k7lA1 TYR 221 H 0.12 0.43 -0.29 -0.55 8.29 8.00 3k7lA1 TYR 221 HA -0.11 0.18 0.81 -0.75 4.56 4.68 3k7lA1 TYR 221 HB2 -0.02 0.08 0.10 -0.04 3.06 3.18 3k7lA1 TYR 221 HB3 -0.05 -0.09 0.18 -0.04 2.98 2.98 3k7lA1 TYR 221 HD2 0.01 0.07 -0.02 -0.04 7.15 7.16 3k7lA1 TYR 221 HE2 -0.00 -0.02 -0.05 -0.04 6.85 6.73 3k7lA1 LYS 222 H -0.14 0.51 -0.62 -0.55 8.42 7.61 3k7lA1 LYS 222 HA -0.13 0.09 0.30 -0.75 4.32 3.83 3k7lA1 LYS 222 HB2 -0.05 0.04 0.02 -0.04 1.87 1.84 3k7lA1 LYS 222 HB3 -0.07 -0.03 0.16 -0.04 1.79 1.81 3k7lA1 LYS 222 HG2 -0.11 0.02 -0.25 -0.04 1.46 1.08 3k7lA1 LYS 222 HG3 -0.07 -0.04 -0.05 -0.04 1.46 1.26 3k7lA1 LYS 222 HD2 -0.09 -0.04 0.03 -0.04 1.69 1.56 3k7lA1 LYS 222 HD3 -0.14 0.11 0.04 -0.04 1.68 1.65 3k7lA1 LYS 222 HE2 -0.16 0.02 0.02 -0.04 2.99 2.83 3k7lA1 LYS 222 HE3 -0.09 -0.04 0.01 -0.04 2.99 2.82 3k7lA1 ARG 223 H -0.36 0.40 -0.38 -0.55 8.46 7.56 3k7lA1 ARG 223 HA -1.56 -0.04 0.14 -0.75 4.34 2.12 3k7lA1 ARG 223 HB2 -0.16 0.19 -0.19 -0.04 1.90 1.70 3k7lA1 ARG 223 HB3 -0.13 -0.04 0.14 -0.04 1.80 1.73 3k7lA1 ARG 223 HG2 -0.71 -0.02 -0.07 -0.04 1.67 0.84 3k7lA1 ARG 223 HG3 -0.31 -0.04 -0.21 -0.04 1.67 1.07 3k7lA1 ARG 223 HD2 -0.06 0.00 -0.06 -0.04 3.22 3.07 3k7lA1 ARG 223 HD3 0.01 0.00 -0.01 -0.04 3.22 3.18 3k7lA1 ASP 224 H -0.08 0.43 -0.64 -0.55 8.40 7.56 3k7lA1 ASP 224 HA 0.02 0.09 0.81 -0.75 4.63 4.80 3k7lA1 ASP 224 HB2 -0.02 0.19 0.03 -0.04 2.71 2.87 3k7lA1 ASP 224 HB3 0.01 0.06 0.19 -0.04 2.70 2.92 3k7lA1 GLN 225 H 0.08 0.27 0.18 -0.55 8.47 8.46 3k7lA1 GLN 225 HA 0.07 -0.01 0.09 -0.75 4.36 3.75 3k7lA1 GLN 225 HB2 0.06 0.07 0.13 -0.04 2.15 2.36 3k7lA1 GLN 225 HB3 0.03 -0.01 0.04 -0.04 2.02 2.03 3k7lA1 GLN 225 HG2 0.22 -0.08 -0.07 -0.04 2.40 2.43 3k7lA1 GLN 225 HG3 0.23 0.16 0.06 -0.04 2.39 2.81 3k7lA1 GLN 225 HE21 0.02 0.00 0.02 -0.04 6.97 6.98 3k7lA1 GLN 225 HE22 0.16 0.09 0.05 -0.04 7.69 7.94 3k7lA1 PRO 226 HA -0.02 0.08 0.65 -0.51 4.44 4.64 3k7lA1 PRO 226 HB2 0.00 0.04 -0.03 -0.04 2.28 2.25 3k7lA1 PRO 226 HB3 0.01 0.07 0.09 -0.04 2.02 2.14 3k7lA1 PRO 226 HG2 0.02 0.07 0.06 -0.04 2.03 2.13 3k7lA1 PRO 226 HG3 0.02 0.08 0.07 -0.04 2.03 2.16 3k7lA1 PRO 226 HD2 0.02 0.07 0.06 -0.04 3.68 3.79 3k7lA1 PRO 226 HD3 0.03 0.12 0.15 -0.04 3.65 3.91 3k7lA1 VAL 227 H -0.03 0.25 -0.34 -0.55 8.24 7.58 3k7lA1 VAL 227 HA -0.06 0.05 0.44 -0.75 4.13 3.81 3k7lA1 VAL 227 HB -0.03 0.19 0.17 -0.04 2.12 2.41 3k7lA1 VAL 227 HG13 -0.03 -0.01 -0.03 -0.04 0.97 0.87 3k7lA1 VAL 227 HG23 -0.00 -0.01 0.02 -0.04 0.95 0.92 3k7lA1 ILE 228 H -0.12 0.48 -0.04 -0.55 8.25 8.03 3k7lA1 ILE 228 HA -0.41 0.01 0.39 -0.75 4.18 3.41 3k7lA1 ILE 228 HB -0.09 0.13 0.06 -0.04 1.89 1.95 3k7lA1 ILE 228 HG12 -0.30 -0.03 -0.04 -0.04 1.49 1.07 3k7lA1 ILE 228 HG13 -0.11 0.17 0.07 -0.04 1.21 1.30 3k7lA1 ILE 228 HG23 -0.16 -0.02 -0.23 -0.04 0.93 0.48 3k7lA1 ILE 228 HD13 0.13 -0.03 -0.25 -0.04 0.88 0.69 3k7lA1 LYS 229 H -0.16 0.55 -0.16 -0.55 8.42 8.09 3k7lA1 LYS 229 HA -0.43 -0.00 0.35 -0.75 4.32 3.48 3k7lA1 LYS 229 HB2 -0.15 0.06 0.15 -0.04 1.87 1.88 3k7lA1 LYS 229 HB3 -0.42 0.01 0.02 -0.04 1.79 1.36 3k7lA1 LYS 229 HG2 -0.14 -0.03 -0.04 -0.04 1.46 1.21 3k7lA1 LYS 229 HG3 -0.11 0.05 -0.00 -0.04 1.46 1.36 3k7lA1 LYS 229 HD2 -0.00 -0.05 -0.13 -0.04 1.69 1.46 3k7lA1 LYS 229 HD3 0.06 0.04 -0.02 -0.04 1.68 1.72 3k7lA1 LYS 229 HE2 0.03 0.07 -0.01 -0.04 2.99 3.03 3k7lA1 LYS 229 HE3 -0.03 -0.04 -0.04 -0.04 2.99 2.84 3k7lA1 ARG 230 H -0.21 0.59 -0.22 -0.55 8.46 8.07 3k7lA1 ARG 230 HA -0.12 0.03 0.23 -0.75 4.34 3.72 3k7lA1 ARG 230 HB2 -0.07 0.12 0.19 -0.04 1.90 2.09 3k7lA1 ARG 230 HB3 -0.01 -0.07 0.05 -0.04 1.80 1.73 3k7lA1 ARG 230 HG2 0.07 -0.03 0.05 -0.04 1.67 1.71 3k7lA1 ARG 230 HG3 0.02 0.00 0.08 -0.04 1.67 1.73 3k7lA1 ARG 230 HD2 -0.03 0.05 0.01 -0.04 3.22 3.21 3k7lA1 ARG 230 HD3 0.00 -0.05 0.01 -0.04 3.22 3.14 3k7lA1 LYS 231 H -0.24 0.47 -0.28 -0.55 8.42 7.82 3k7lA1 LYS 231 HA -0.09 -0.03 0.24 -0.75 4.32 3.69 3k7lA1 LYS 231 HB2 -0.30 0.11 0.13 -0.04 1.87 1.77 3k7lA1 LYS 231 HB3 -0.16 -0.08 0.01 -0.04 1.79 1.52 3k7lA1 LYS 231 HG2 -0.06 -0.09 0.04 -0.04 1.46 1.31 3k7lA1 LYS 231 HG3 -0.11 0.05 0.02 -0.04 1.46 1.38 3k7lA1 LYS 231 HD2 -0.16 0.04 -0.03 -0.04 1.69 1.49 3k7lA1 LYS 231 HD3 -0.06 -0.02 0.01 -0.04 1.68 1.57 3k7lA1 LYS 231 HE2 0.10 0.04 0.04 -0.04 2.99 3.13 3k7lA1 LYS 231 HE3 0.01 -0.07 0.04 -0.04 2.99 2.94 3k7lA1 VAL 232 H -0.29 0.62 -0.10 -0.55 8.24 7.91 3k7lA1 VAL 232 HA -0.10 -0.04 0.50 -0.75 4.13 3.74 3k7lA1 VAL 232 HB -0.34 0.15 0.12 -0.04 2.12 2.01 3k7lA1 VAL 232 HG13 -0.09 -0.01 -0.13 -0.04 0.97 0.70 3k7lA1 VAL 232 HG23 -0.17 -0.01 -0.06 -0.04 0.95 0.67 3k7lA1 TYR 233 H -0.40 0.62 -0.21 -0.55 8.29 7.75 3k7lA1 TYR 233 HA -0.00 -0.05 0.23 -0.75 4.56 3.98 3k7lA1 TYR 233 HB2 -0.00 0.09 0.09 -0.04 3.06 3.19 3k7lA1 TYR 233 HB3 0.01 -0.02 0.06 -0.04 2.98 2.98 3k7lA1 TYR 233 HD2 -0.01 -0.07 -0.06 -0.04 7.15 6.97 3k7lA1 TYR 233 HE2 -0.03 -0.04 -0.11 -0.04 6.85 6.63 3k7lA1 GLU 234 H 0.03 0.47 -0.13 -0.55 8.60 8.42 3k7lA1 GLU 234 HA 0.06 0.04 0.48 -0.75 4.29 4.12 3k7lA1 GLU 234 HB2 0.00 0.05 0.14 -0.04 2.09 2.23 3k7lA1 GLU 234 HB3 0.03 -0.08 0.03 -0.04 1.99 1.93 3k7lA1 GLU 234 HG2 0.05 -0.01 0.02 -0.04 2.34 2.35 3k7lA1 GLU 234 HG3 0.02 0.30 0.04 -0.04 2.34 2.66 3k7lA1 MET 235 H 0.00 0.56 -0.06 -0.55 8.47 8.42 3k7lA1 MET 235 HA 0.02 -0.05 0.37 -0.75 4.52 4.10 3k7lA1 MET 235 HB2 0.01 0.37 0.27 -0.04 2.15 2.76 3k7lA1 MET 235 HB3 0.03 -0.08 -0.01 -0.04 2.03 1.93 3k7lA1 MET 235 HG2 -0.01 -0.05 0.07 -0.04 2.63 2.59 3k7lA1 MET 235 HG3 -0.04 0.37 0.11 -0.04 2.56 2.96 3k7lA1 MET 235 HE3 -0.07 -0.03 -0.14 -0.04 2.10 1.82 3k7lA1 ILE 236 H 0.08 0.54 -0.05 -0.55 8.25 8.26 3k7lA1 ILE 236 HA 0.06 -0.00 0.45 -0.75 4.18 3.94 3k7lA1 ILE 236 HB 0.11 0.07 0.07 -0.04 1.89 2.10 3k7lA1 ILE 236 HG12 0.18 0.01 -0.07 -0.04 1.49 1.58 3k7lA1 ILE 236 HG13 0.20 -0.04 -0.10 -0.04 1.21 1.23 3k7lA1 ILE 236 HG23 0.02 -0.02 -0.19 -0.04 0.93 0.70 3k7lA1 ILE 236 HD13 0.23 -0.01 -0.11 -0.04 0.88 0.95 3k7lA1 ASN 237 H 0.08 0.68 -0.14 -0.55 8.53 8.59 3k7lA1 ASN 237 HA 0.07 0.02 0.54 -0.75 4.76 4.63 3k7lA1 ASN 237 HB2 0.08 0.08 0.14 -0.04 2.88 3.14 3k7lA1 ASN 237 HB3 0.07 0.06 0.18 -0.04 2.79 3.06 3k7lA1 ASN 237 HD21 0.07 -0.04 -0.07 -0.04 7.03 6.96 3k7lA1 ASN 237 HD22 0.06 -0.00 -0.03 -0.04 7.74 7.73 3k7lA1 THR 238 H 0.04 0.56 -0.17 -0.55 8.28 8.16 3k7lA1 THR 238 HA 0.05 -0.02 0.36 -0.75 4.39 4.02 3k7lA1 THR 238 HB 0.02 0.09 0.10 -0.04 4.32 4.49 3k7lA1 THR 238 HG23 -0.00 -0.02 -0.06 -0.04 1.22 1.10 3k7lA1 MET 239 H 0.02 0.47 -0.15 -0.55 8.47 8.25 3k7lA1 MET 239 HA -0.00 0.01 0.39 -0.75 4.52 4.17 3k7lA1 MET 239 HB2 -0.02 0.09 0.13 -0.04 2.15 2.31 3k7lA1 MET 239 HB3 0.03 -0.04 -0.01 -0.04 2.03 1.97 3k7lA1 MET 239 HG2 0.01 0.00 0.01 -0.04 2.63 2.61 3k7lA1 MET 239 HG3 0.01 0.29 0.13 -0.04 2.56 2.95 3k7lA1 MET 239 HE3 -0.22 -0.00 -0.26 -0.04 2.10 1.58 3k7lA1 ASN 240 H 0.03 0.57 -0.13 -0.55 8.53 8.45 3k7lA1 ASN 240 HA 0.07 0.01 0.30 -0.75 4.76 4.39 3k7lA1 ASN 240 HB2 0.07 0.09 0.19 -0.04 2.88 3.18 3k7lA1 ASN 240 HB3 0.15 0.01 0.06 -0.04 2.79 2.97 3k7lA1 ASN 240 HD21 -0.34 0.38 0.14 -0.04 7.03 7.17 3k7lA1 ASN 240 HD22 -0.03 -0.05 -0.01 -0.04 7.74 7.60 3k7lA1 MET 241 H 0.07 0.55 -0.17 -0.55 8.47 8.37 3k7lA1 MET 241 HA 0.12 0.01 0.46 -0.75 4.52 4.35 3k7lA1 MET 241 HB2 0.10 0.11 0.10 -0.04 2.15 2.42 3k7lA1 MET 241 HB3 0.19 -0.08 -0.01 -0.04 2.03 2.09 3k7lA1 MET 241 HG2 0.13 -0.04 0.01 -0.04 2.63 2.69 3k7lA1 MET 241 HG3 0.10 0.27 0.00 -0.04 2.56 2.89 3k7lA1 MET 241 HE3 0.12 -0.01 -0.08 -0.04 2.10 2.09 3k7lA1 ILE 242 H -0.09 0.54 -0.10 -0.55 8.25 8.06 3k7lA1 ILE 242 HA -0.20 -0.00 0.70 -0.75 4.18 3.92 3k7lA1 ILE 242 HB -0.27 0.12 0.17 -0.04 1.89 1.87 3k7lA1 ILE 242 HG12 -1.35 -0.04 0.01 -0.04 1.49 0.07 3k7lA1 ILE 242 HG13 -0.53 0.05 0.07 -0.04 1.21 0.76 3k7lA1 ILE 242 HG23 -0.61 -0.03 -0.06 -0.04 0.93 0.18 3k7lA1 ILE 242 HD13 -0.47 -0.02 -0.03 -0.04 0.88 0.32 3k7lA1 TYR 243 H 0.12 0.54 -0.12 -0.55 8.29 8.27 3k7lA1 TYR 243 HA 0.05 0.04 0.49 -0.75 4.56 4.39 3k7lA1 TYR 243 HB2 -0.03 0.06 0.02 -0.04 3.06 3.08 3k7lA1 TYR 243 HB3 0.06 0.05 0.08 -0.04 2.98 3.12 3k7lA1 TYR 243 HD2 -0.13 0.04 -0.04 -0.04 7.15 6.97 3k7lA1 TYR 243 HE2 -0.39 -0.02 -0.04 -0.04 6.85 6.36 3k7lA1 ARG 244 H 0.08 0.24 -0.53 -0.55 8.46 7.70 3k7lA1 ARG 244 HA 0.05 0.12 0.34 -0.75 4.34 4.09 3k7lA1 ARG 244 HB2 0.05 0.15 0.15 -0.04 1.90 2.20 3k7lA1 ARG 244 HB3 -0.02 -0.05 -0.06 -0.04 1.80 1.63 3k7lA1 ARG 244 HG2 -0.18 -0.02 -0.00 -0.04 1.67 1.42 3k7lA1 ARG 244 HG3 0.08 0.14 0.03 -0.04 1.67 1.88 3k7lA1 ARG 244 HD2 0.23 -0.04 -0.04 -0.04 3.22 3.33 3k7lA1 ARG 244 HD3 0.10 0.01 0.04 -0.04 3.22 3.33 3k7lA1 ARG 245 H 0.05 0.20 -0.08 -0.55 8.46 8.08 3k7lA1 ARG 245 HA 0.03 0.08 0.34 -0.75 4.34 4.04 3k7lA1 ARG 245 HB2 0.06 -0.02 0.13 -0.04 1.90 2.03 3k7lA1 ARG 245 HB3 0.05 -0.03 0.12 -0.04 1.80 1.90 3k7lA1 ARG 245 HG2 0.07 0.09 -0.01 -0.04 1.67 1.77 3k7lA1 ARG 245 HG3 0.09 0.05 -0.29 -0.04 1.67 1.47 3k7lA1 ARG 245 HD2 0.09 -0.06 0.01 -0.04 3.22 3.21 3k7lA1 ARG 245 HD3 0.10 -0.03 -0.00 -0.04 3.22 3.24 3k7lA1 LEU 246 H 0.13 0.20 -0.76 -0.55 8.37 7.39 3k7lA1 LEU 246 HA 0.16 0.12 0.71 -0.75 4.35 4.59 3k7lA1 LEU 246 HB2 0.33 0.11 0.07 -0.04 1.64 2.12 3k7lA1 LEU 246 HB3 0.36 0.01 0.08 -0.04 1.64 2.05 3k7lA1 LEU 246 HG 0.08 -0.02 -0.07 -0.04 1.64 1.59 3k7lA1 LEU 246 HD13 -0.27 -0.02 -0.04 -0.04 0.93 0.56 3k7lA1 LEU 246 HD23 0.14 0.01 -0.14 -0.04 0.89 0.86 3k7lA1 ASN 247 H 0.09 0.49 -0.07 -0.55 8.53 8.50 3k7lA1 ASN 247 HA -0.04 -0.01 0.31 -0.75 4.76 4.26 3k7lA1 ASN 247 HB2 -0.06 0.31 0.25 -0.04 2.88 3.34 3k7lA1 ASN 247 HB3 -0.17 -0.04 0.14 -0.04 2.79 2.69 3k7lA1 ASN 247 HD21 -0.01 -0.15 -0.05 -0.04 7.03 6.78 3k7lA1 ASN 247 HD22 -0.02 0.25 -0.05 -0.04 7.74 7.88 3k7lA1 PHE 248 H 0.31 0.33 -0.07 -0.55 8.34 8.36 3k7lA1 PHE 248 HA -0.14 0.40 0.90 -0.75 4.62 5.02 3k7lA1 PHE 248 HB2 -0.06 -0.06 -0.05 -0.04 3.15 2.94 3k7lA1 PHE 248 HB3 -0.24 -0.11 -0.31 -0.04 3.06 2.37 3k7lA1 PHE 248 HD2 -0.04 -0.01 -0.31 -0.04 7.28 6.88 3k7lA1 PHE 248 HE2 0.11 0.01 -0.13 -0.04 7.38 7.33 3k7lA1 PHE 248 HZ 0.14 -0.00 -0.09 -0.04 7.32 7.32 3k7lA1 HIS 249 H -0.06 0.62 0.41 -0.55 8.41 8.84 3k7lA1 HIS 249 HA 0.03 0.12 0.88 -0.75 4.63 4.91 3k7lA1 HIS 249 HB2 0.05 0.07 -0.10 -0.04 3.26 3.25 3k7lA1 HIS 249 HB3 0.08 0.01 0.05 -0.04 3.20 3.30 3k7lA1 HIS 249 HD2 -0.50 -0.07 -0.43 -0.04 6.97 5.93 3k7lA1 HIS 249 HE1 0.09 -0.08 -0.01 -0.04 7.75 7.70 3k7lA1 ILE 250 H -0.55 0.21 0.11 -0.55 8.25 7.46 3k7lA1 ILE 250 HA -0.16 0.18 0.79 -0.75 4.18 4.23 3k7lA1 ILE 250 HB -0.25 -0.00 0.09 -0.04 1.89 1.69 3k7lA1 ILE 250 HG12 -0.44 -0.03 -0.15 -0.04 1.49 0.84 3k7lA1 ILE 250 HG13 -0.33 0.04 -0.18 -0.04 1.21 0.69 3k7lA1 ILE 250 HG23 -0.23 -0.02 -0.17 -0.04 0.93 0.46 3k7lA1 ILE 250 HD13 -0.29 -0.03 -0.36 -0.04 0.88 0.16 3k7lA1 ALA 251 H -0.05 0.82 0.34 -0.55 8.40 8.96 3k7lA1 ALA 251 HA -0.10 0.10 0.83 -0.75 4.34 4.42 3k7lA1 ALA 251 HB3 -0.12 0.02 -0.09 -0.04 1.41 1.18 3k7lA1 LEU 252 H 0.02 0.18 0.09 -0.55 8.37 8.12 3k7lA1 LEU 252 HA 0.11 0.14 0.44 -0.75 4.35 4.28 3k7lA1 LEU 252 HB2 0.11 0.01 0.02 -0.04 1.64 1.73 3k7lA1 LEU 252 HB3 0.05 -0.07 0.17 -0.04 1.64 1.74 3k7lA1 LEU 252 HG -0.01 -0.02 -0.19 -0.04 1.64 1.37 3k7lA1 LEU 252 HD13 -0.02 0.03 -0.08 -0.04 0.93 0.82 3k7lA1 LEU 252 HD23 0.15 -0.01 -0.15 -0.04 0.89 0.83 3k7lA1 ILE 253 H 0.07 0.72 0.46 -0.55 8.25 8.94 3k7lA1 ILE 253 HA 0.04 0.22 1.08 -0.75 4.18 4.76 3k7lA1 ILE 253 HB 0.07 0.05 0.17 -0.04 1.89 2.14 3k7lA1 ILE 253 HG12 0.11 -0.07 -0.17 -0.04 1.49 1.32 3k7lA1 ILE 253 HG13 0.15 0.03 -0.22 -0.04 1.21 1.13 3k7lA1 ILE 253 HG23 0.05 0.01 -0.28 -0.04 0.93 0.67 3k7lA1 ILE 253 HD13 0.09 -0.02 -0.06 -0.04 0.88 0.86 3k7lA1 GLY 254 H -0.11 0.17 0.15 -0.55 8.43 8.10 3k7lA1 GLY 254 HA2 -0.11 0.08 0.31 -0.51 4.01 3.78 3k7lA1 GLY 254 HA3 -0.25 0.09 0.46 -0.51 4.01 3.80 3k7lA1 LEU 255 H -0.22 0.28 0.10 -0.55 8.37 7.98 3k7lA1 LEU 255 HA -0.41 0.42 1.04 -0.75 4.35 4.65 3k7lA1 LEU 255 HB2 -0.11 0.01 -0.21 -0.04 1.64 1.29 3k7lA1 LEU 255 HB3 -0.07 0.01 0.04 -0.04 1.64 1.58 3k7lA1 LEU 255 HG -0.13 -0.06 -0.34 -0.04 1.64 1.07 3k7lA1 LEU 255 HD13 -0.21 0.01 -0.17 -0.04 0.93 0.52 3k7lA1 LEU 255 HD23 -0.16 -0.01 -0.10 -0.04 0.89 0.59 3k7lA1 GLU 256 H -0.28 0.57 0.35 -0.55 8.60 8.69 3k7lA1 GLU 256 HA -0.05 0.17 1.10 -0.75 4.29 4.75 3k7lA1 GLU 256 HB2 0.14 0.09 -0.05 -0.04 2.09 2.23 3k7lA1 GLU 256 HB3 0.14 0.03 -0.01 -0.04 1.99 2.12 3k7lA1 GLU 256 HG2 -0.12 -0.15 -0.26 -0.04 2.34 1.76 3k7lA1 GLU 256 HG3 0.19 0.06 -0.23 -0.04 2.34 2.33 3k7lA1 ILE 257 H -0.06 0.23 0.19 -0.55 8.25 8.05 3k7lA1 ILE 257 HA -0.22 0.12 0.88 -0.75 4.18 4.20 3k7lA1 ILE 257 HB -0.12 0.00 0.12 -0.04 1.89 1.85 3k7lA1 ILE 257 HG12 -0.06 0.01 -0.08 -0.04 1.49 1.32 3k7lA1 ILE 257 HG13 -0.13 -0.01 -0.24 -0.04 1.21 0.79 3k7lA1 ILE 257 HG23 -0.16 -0.01 -0.20 -0.04 0.93 0.51 3k7lA1 ILE 257 HD13 -0.07 0.01 -0.02 -0.04 0.88 0.76 3k7lA1 TRP 258 H -0.15 0.79 0.18 -0.55 7.97 8.24 3k7lA1 TRP 258 HA -0.10 0.18 0.81 -0.75 4.62 4.75 3k7lA1 TRP 258 HB2 -0.10 -0.15 0.22 -0.04 3.23 3.15 3k7lA1 TRP 258 HB3 -0.10 0.06 0.00 -0.04 3.23 3.16 3k7lA1 TRP 258 HD1 -0.03 0.11 -0.10 -0.04 7.22 7.16 3k7lA1 TRP 258 HE1 0.02 0.11 -0.08 -0.04 10.20 10.20 3k7lA1 TRP 258 HE3 -0.14 -0.20 0.13 -0.04 7.59 7.34 3k7lA1 TRP 258 HZ2 -1.95 0.15 -0.09 -0.04 7.44 5.50 3k7lA1 TRP 258 HZ3 -0.21 -0.01 -0.01 -0.04 7.13 6.86 3k7lA1 TRP 258 HH2 -0.60 0.10 -0.10 -0.04 7.19 6.54 3k7lA1 SER 259 H -0.16 0.44 -0.49 -0.55 8.46 7.71 3k7lA1 SER 259 HA -1.35 0.04 0.40 -0.75 4.49 2.82 3k7lA1 SER 259 HB2 -0.55 0.05 0.08 -0.04 3.95 3.49 3k7lA1 SER 259 HB3 -0.77 -0.04 0.01 -0.04 3.93 3.09 3k7lA1 ASN 260 H -0.01 -0.03 -0.50 -0.55 8.53 7.44 3k7lA1 ASN 260 HA 0.01 0.37 1.32 -0.75 4.76 5.71 3k7lA1 ASN 260 HB2 -0.01 0.01 -0.04 -0.04 2.88 2.81 3k7lA1 ASN 260 HB3 -0.02 -0.06 0.11 -0.04 2.79 2.78 3k7lA1 ASN 260 HD21 0.01 -0.02 -0.05 -0.04 7.03 6.93 3k7lA1 ASN 260 HD22 0.02 0.05 0.06 -0.04 7.74 7.83 3k7lA1 ILE 261 H -0.06 0.20 0.11 -0.55 8.25 7.95 3k7lA1 ILE 261 HA -0.01 0.16 0.55 -0.75 4.18 4.12 3k7lA1 ILE 261 HB -0.11 0.11 -0.01 -0.04 1.89 1.84 3k7lA1 ILE 261 HG12 -0.07 0.04 -0.07 -0.04 1.49 1.35 3k7lA1 ILE 261 HG13 -0.07 -0.11 -0.08 -0.04 1.21 0.91 3k7lA1 ILE 261 HG23 -0.03 0.01 -0.00 -0.04 0.93 0.87 3k7lA1 ILE 261 HD13 -0.19 0.02 -0.17 -0.04 0.88 0.49 3k7lA1 ASN 262 H -0.07 0.10 0.14 -0.55 8.53 8.16 3k7lA1 ASN 262 HA -0.41 -0.01 0.64 -0.75 4.76 4.23 3k7lA1 ASN 262 HB2 -0.09 0.08 0.25 -0.04 2.88 3.07 3k7lA1 ASN 262 HB3 -0.17 0.06 0.22 -0.04 2.79 2.86 3k7lA1 ASN 262 HD21 0.11 -0.19 0.11 -0.04 7.03 7.02 3k7lA1 ASN 262 HD22 0.05 0.13 0.14 -0.04 7.74 8.02 3k7lA1 GLU 263 H -2.57 0.09 0.17 -0.55 8.60 5.75 3k7lA1 GLU 263 HA -0.46 0.28 1.07 -0.75 4.29 4.42 3k7lA1 GLU 263 HB2 -1.03 -0.04 0.07 -0.04 2.09 1.05 3k7lA1 GLU 263 HB3 -0.19 0.04 0.14 -0.04 1.99 1.94 3k7lA1 GLU 263 HG2 -0.05 0.04 0.04 -0.04 2.34 2.32 3k7lA1 GLU 263 HG3 -0.31 0.04 0.01 -0.04 2.34 2.04 3k7lA1 ILE 264 H -0.73 -0.04 -0.11 -0.55 8.25 6.82 3k7lA1 ILE 264 HA -0.12 0.25 0.05 -0.75 4.18 3.61 3k7lA1 ILE 264 HB 0.04 0.01 -0.08 -0.04 1.89 1.82 3k7lA1 ILE 264 HG12 -0.11 -0.04 -0.14 -0.04 1.49 1.16 3k7lA1 ILE 264 HG13 0.05 -0.14 -0.18 -0.04 1.21 0.91 3k7lA1 ILE 264 HG23 -0.07 0.04 -0.13 -0.04 0.93 0.73 3k7lA1 ILE 264 HD13 0.29 0.02 -0.21 -0.04 0.88 0.94 3k7lA1 ASN 265 H -0.01 0.22 -0.02 -0.55 8.53 8.18 3k7lA1 ASN 265 HA -0.02 0.09 0.62 -0.75 4.76 4.71 3k7lA1 ASN 265 HB2 -0.00 0.05 0.05 -0.04 2.88 2.93 3k7lA1 ASN 265 HB3 0.02 0.00 0.15 -0.04 2.79 2.92 3k7lA1 ASN 265 HD21 0.01 -0.01 -0.07 -0.04 7.03 6.92 3k7lA1 ASN 265 HD22 0.01 0.02 -0.03 -0.04 7.74 7.71 3k7lA1 VAL 266 H 0.03 0.21 0.14 -0.55 8.24 8.07 3k7lA1 VAL 266 HA 0.10 0.12 0.52 -0.75 4.13 4.11 3k7lA1 VAL 266 HB 0.06 -0.06 0.06 -0.04 2.12 2.14 3k7lA1 VAL 266 HG13 0.08 -0.00 -0.23 -0.04 0.97 0.78 3k7lA1 VAL 266 HG23 0.14 0.03 -0.05 -0.04 0.95 1.03 3k7lA1 GLN 267 H 0.14 0.22 0.09 -0.55 8.47 8.37 3k7lA1 GLN 267 HA 0.06 0.15 0.52 -0.75 4.36 4.34 3k7lA1 GLN 267 HB2 0.07 0.04 -0.00 -0.04 2.15 2.22 3k7lA1 GLN 267 HB3 0.06 -0.16 -0.06 -0.04 2.02 1.81 3k7lA1 GLN 267 HG2 0.04 0.02 -0.15 -0.04 2.40 2.26 3k7lA1 GLN 267 HG3 0.05 0.08 -0.51 -0.04 2.39 1.97 3k7lA1 GLN 267 HE21 0.03 0.04 -0.04 -0.04 6.97 6.96 3k7lA1 GLN 267 HE22 0.03 -0.06 -0.04 -0.04 7.69 7.58 3k7lA1 SER 268 H 0.07 0.20 0.09 -0.55 8.46 8.28 3k7lA1 SER 268 HA 0.19 0.14 0.22 -0.75 4.49 4.29 3k7lA1 SER 268 HB2 0.05 -0.03 0.09 -0.04 3.95 4.02 3k7lA1 SER 268 HB3 0.07 -0.06 0.14 -0.04 3.93 4.05 3k7lA1 ASP 269 H 0.07 0.04 -0.41 -0.55 8.40 7.55 3k7lA1 ASP 269 HA 0.00 0.13 0.74 -0.75 4.63 4.75 3k7lA1 ASP 269 HB2 0.01 0.08 0.06 -0.04 2.71 2.82 3k7lA1 ASP 269 HB3 0.02 -0.01 0.08 -0.04 2.70 2.75 3k7lA1 VAL 270 H -0.17 0.31 0.14 -0.55 8.24 7.97 3k7lA1 VAL 270 HA -0.63 0.05 0.25 -0.75 4.13 3.05 3k7lA1 VAL 270 HB -0.67 0.13 0.06 -0.04 2.12 1.60 3k7lA1 VAL 270 HG13 -0.25 0.01 -0.04 -0.04 0.97 0.65 3k7lA1 VAL 270 HG23 -1.36 0.01 -0.23 -0.04 0.95 -0.66 3k7lA1 ARG 271 H -0.15 0.12 -0.15 -0.55 8.46 7.73 3k7lA1 ARG 271 HA -0.12 0.10 0.39 -0.75 4.34 3.95 3k7lA1 ARG 271 HB2 -0.05 -0.04 -0.01 -0.04 1.90 1.77 3k7lA1 ARG 271 HB3 -0.05 0.07 -0.04 -0.04 1.80 1.74 3k7lA1 ARG 271 HG2 -0.10 0.06 0.01 -0.04 1.67 1.61 3k7lA1 ARG 271 HG3 -0.11 -0.08 0.05 -0.04 1.67 1.49 3k7lA1 ARG 271 HD2 -0.04 0.04 -0.01 -0.04 3.22 3.16 3k7lA1 ARG 271 HD3 -0.06 0.05 0.00 -0.04 3.22 3.17 3k7lA1 ALA 272 H -0.03 0.29 -0.26 -0.55 8.40 7.85 3k7lA1 ALA 272 HA 0.02 0.13 0.32 -0.75 4.34 4.06 3k7lA1 ALA 272 HB3 0.02 0.02 0.02 -0.04 1.41 1.43 3k7lA1 THR 273 H 0.01 0.38 -0.14 -0.55 8.28 7.98 3k7lA1 THR 273 HA 0.11 0.07 0.50 -0.75 4.39 4.32 3k7lA1 THR 273 HB 0.06 0.12 0.08 -0.04 4.32 4.53 3k7lA1 THR 273 HG23 0.16 -0.01 -0.18 -0.04 1.22 1.15 3k7lA1 LEU 274 H -0.04 0.64 -0.06 -0.55 8.37 8.37 3k7lA1 LEU 274 HA 0.15 -0.01 0.30 -0.75 4.35 4.04 3k7lA1 LEU 274 HB2 -0.10 -0.04 -0.02 -0.04 1.64 1.43 3k7lA1 LEU 274 HB3 -0.13 0.04 0.02 -0.04 1.64 1.53 3k7lA1 LEU 274 HG -0.31 0.03 -0.29 -0.04 1.64 1.04 3k7lA1 LEU 274 HD13 0.12 -0.00 -0.14 -0.04 0.93 0.87 3k7lA1 LEU 274 HD23 -0.53 -0.01 -0.38 -0.04 0.89 -0.07 3k7lA1 ASN 275 H 0.05 0.57 -0.31 -0.55 8.53 8.29 3k7lA1 ASN 275 HA 0.20 0.03 0.34 -0.75 4.76 4.58 3k7lA1 ASN 275 HB2 0.08 0.02 0.10 -0.04 2.88 3.04 3k7lA1 ASN 275 HB3 0.07 0.00 0.18 -0.04 2.79 3.00 3k7lA1 ASN 275 HD21 0.09 0.01 -0.00 -0.04 7.03 7.08 3k7lA1 ASN 275 HD22 0.16 0.01 0.01 -0.04 7.74 7.87 3k7lA1 LEU 276 H 0.13 0.71 -0.08 -0.55 8.37 8.58 3k7lA1 LEU 276 HA 0.14 0.03 0.35 -0.75 4.35 4.11 3k7lA1 LEU 276 HB2 0.14 0.02 0.15 -0.04 1.64 1.91 3k7lA1 LEU 276 HB3 0.13 -0.11 0.07 -0.04 1.64 1.69 3k7lA1 LEU 276 HG 0.08 0.18 0.10 -0.04 1.64 1.96 3k7lA1 LEU 276 HD13 0.06 -0.02 0.02 -0.04 0.93 0.95 3k7lA1 LEU 276 HD23 0.07 -0.01 -0.01 -0.04 0.89 0.90 3k7lA1 PHE 277 H 0.33 0.69 -0.27 -0.55 8.34 8.54 3k7lA1 PHE 277 HA 0.28 -0.03 0.34 -0.75 4.62 4.47 3k7lA1 PHE 277 HB2 0.14 -0.12 -0.03 -0.04 3.15 3.10 3k7lA1 PHE 277 HB3 0.14 0.13 0.03 -0.04 3.06 3.31 3k7lA1 PHE 277 HD2 0.13 -0.00 -0.13 -0.04 7.28 7.23 3k7lA1 PHE 277 HE2 0.10 0.08 -0.14 -0.04 7.38 7.37 3k7lA1 PHE 277 HZ 0.15 0.04 -0.41 -0.04 7.32 7.05 3k7lA1 GLY 278 H 0.27 0.54 -0.10 -0.55 8.43 8.60 3k7lA1 GLY 278 HA2 0.03 0.03 0.41 -0.51 4.01 3.97 3k7lA1 GLY 278 HA3 0.19 0.11 0.33 -0.51 4.01 4.12 3k7lA1 GLU 279 H 0.13 0.43 -0.13 -0.55 8.60 8.48 3k7lA1 GLU 279 HA 0.02 0.07 0.43 -0.75 4.29 4.05 3k7lA1 GLU 279 HB2 0.11 0.08 0.10 -0.04 2.09 2.34 3k7lA1 GLU 279 HB3 0.05 -0.05 0.02 -0.04 1.99 1.98 3k7lA1 GLU 279 HG2 0.04 -0.03 0.03 -0.04 2.34 2.34 3k7lA1 GLU 279 HG3 0.08 0.14 0.09 -0.04 2.34 2.61 3k7lA1 TRP 280 H 0.26 0.48 -0.18 -0.55 7.97 7.98 3k7lA1 TRP 280 HA -0.02 0.01 0.44 -0.75 4.62 4.29 3k7lA1 TRP 280 HB2 0.07 0.08 0.09 -0.04 3.23 3.44 3k7lA1 TRP 280 HB3 -0.03 0.09 0.11 -0.04 3.23 3.35 3k7lA1 TRP 280 HD1 0.01 0.07 -0.01 -0.04 7.22 7.24 3k7lA1 TRP 280 HE1 0.00 0.01 -0.05 -0.04 10.20 10.13 3k7lA1 TRP 280 HE3 -0.20 0.13 -0.20 -0.04 7.59 7.28 3k7lA1 TRP 280 HZ2 0.31 0.01 -0.10 -0.04 7.44 7.62 3k7lA1 TRP 280 HZ3 0.13 0.03 -0.13 -0.04 7.13 7.12 3k7lA1 TRP 280 HH2 0.32 0.01 -0.12 -0.04 7.19 7.36 3k7lA1 ARG 281 H -0.06 0.74 -0.07 -0.55 8.46 8.52 3k7lA1 ARG 281 HA -0.38 -0.09 0.56 -0.75 4.34 3.67 3k7lA1 ARG 281 HB2 -0.35 -0.07 0.08 -0.04 1.90 1.51 3k7lA1 ARG 281 HB3 -0.16 0.25 0.15 -0.04 1.80 2.00 3k7lA1 ARG 281 HG2 -0.12 0.15 -0.28 -0.04 1.67 1.39 3k7lA1 ARG 281 HG3 -0.19 -0.14 -0.03 -0.04 1.67 1.27 3k7lA1 ARG 281 HD2 -0.05 -0.14 -0.09 -0.04 3.22 2.90 3k7lA1 ARG 281 HD3 -0.03 0.07 -0.17 -0.04 3.22 3.04 3k7lA1 GLU 282 H -0.11 0.60 -0.07 -0.55 8.60 8.48 3k7lA1 GLU 282 HA -0.12 0.05 0.39 -0.75 4.29 3.86 3k7lA1 GLU 282 HB2 -0.07 0.22 0.04 -0.04 2.09 2.24 3k7lA1 GLU 282 HB3 -0.06 0.02 0.17 -0.04 1.99 2.07 3k7lA1 GLU 282 HG2 -0.07 0.00 -0.28 -0.04 2.34 1.94 3k7lA1 GLU 282 HG3 -0.06 -0.06 -0.03 -0.04 2.34 2.15 3k7lA1 LYS 283 H -0.20 0.29 -0.29 -0.55 8.42 7.66 3k7lA1 LYS 283 HA -0.13 0.17 0.48 -0.75 4.32 4.09 3k7lA1 LYS 283 HB2 -0.10 0.03 0.07 -0.04 1.87 1.84 3k7lA1 LYS 283 HB3 -0.09 -0.08 0.02 -0.04 1.79 1.60 3k7lA1 LYS 283 HG2 -0.07 0.02 -0.20 -0.04 1.46 1.17 3k7lA1 LYS 283 HG3 -0.05 0.11 0.00 -0.04 1.46 1.48 3k7lA1 LYS 283 HD2 -0.02 -0.04 -0.03 -0.04 1.69 1.56 3k7lA1 LYS 283 HD3 -0.04 -0.02 -0.02 -0.04 1.68 1.56 3k7lA1 LYS 283 HE2 -0.02 -0.04 -0.02 -0.04 2.99 2.87 3k7lA1 LYS 283 HE3 -0.03 0.02 -0.04 -0.04 2.99 2.90 3k7lA1 LYS 284 H -0.53 0.53 0.12 -0.55 8.42 7.98 3k7lA1 LYS 284 HA -0.31 0.20 0.94 -0.75 4.32 4.39 3k7lA1 LYS 284 HB2 -1.05 0.02 0.16 -0.04 1.87 0.96 3k7lA1 LYS 284 HB3 -1.30 -0.04 -0.08 -0.04 1.79 0.33 3k7lA1 LYS 284 HG2 0.03 -0.07 -0.01 -0.04 1.46 1.36 3k7lA1 LYS 284 HG3 -0.14 0.00 0.02 -0.04 1.46 1.30 3k7lA1 LYS 284 HD2 -0.14 0.08 -0.29 -0.04 1.69 1.31 3k7lA1 LYS 284 HD3 -0.00 -0.04 -0.07 -0.04 1.68 1.53 3k7lA1 LYS 284 HE2 0.03 -0.05 -0.01 -0.04 2.99 2.92 3k7lA1 LYS 284 HE3 -0.04 0.04 -0.01 -0.04 2.99 2.93 3k7lA1 LEU 285 H -0.80 0.36 0.19 -0.55 8.37 7.57 3k7lA1 LEU 285 HA -0.55 0.04 0.53 -0.75 4.35 3.61 3k7lA1 LEU 285 HB2 -1.16 -0.12 0.01 -0.04 1.64 0.33 3k7lA1 LEU 285 HB3 -0.54 0.09 0.24 -0.04 1.64 1.39 3k7lA1 LEU 285 HG -0.48 0.18 -0.21 -0.04 1.64 1.09 3k7lA1 LEU 285 HD13 -0.68 -0.03 -0.07 -0.04 0.93 0.12 3k7lA1 LEU 285 HD23 -0.46 -0.02 -0.08 -0.04 0.89 0.28 3k7lA1 LEU 286 H -0.29 0.64 0.10 -0.55 8.37 8.27 3k7lA1 LEU 286 HA -0.16 0.19 0.15 -0.75 4.35 3.77 3k7lA1 LEU 286 HB2 -0.14 0.17 0.12 -0.04 1.64 1.75 3k7lA1 LEU 286 HB3 -0.09 -0.08 -0.02 -0.04 1.64 1.41 3k7lA1 LEU 286 HG -0.15 -0.03 0.02 -0.04 1.64 1.45 3k7lA1 LEU 286 HD13 -0.07 0.00 -0.03 -0.04 0.93 0.79 3k7lA1 LEU 286 HD23 -0.06 0.05 0.07 -0.04 0.89 0.91 3k7lA1 PRO 287 HA -0.08 0.00 0.22 -0.51 4.44 4.08 3k7lA1 PRO 287 HB2 -0.10 0.03 -0.06 -0.04 2.28 2.11 3k7lA1 PRO 287 HB3 -0.07 -0.07 0.06 -0.04 2.02 1.89 3k7lA1 PRO 287 HG2 -0.12 0.22 -0.02 -0.04 2.03 2.07 3k7lA1 PRO 287 HG3 -0.10 -0.03 -0.01 -0.04 2.03 1.85 3k7lA1 PRO 287 HD2 -0.23 0.12 -0.93 -0.04 3.68 2.60 3k7lA1 PRO 287 HD3 -0.19 0.17 -0.41 -0.04 3.65 3.18 3k7lA1 ARG 288 H -0.15 0.58 -0.35 -0.55 8.46 7.99 3k7lA1 ARG 288 HA -0.05 0.21 1.11 -0.75 4.34 4.86 3k7lA1 ARG 288 HB2 -0.02 -0.10 0.15 -0.04 1.90 1.89 3k7lA1 ARG 288 HB3 -0.05 -0.07 0.01 -0.04 1.80 1.65 3k7lA1 ARG 288 HG2 -0.13 0.25 0.13 -0.04 1.67 1.87 3k7lA1 ARG 288 HG3 -0.12 0.07 0.02 -0.04 1.67 1.60 3k7lA1 ARG 288 HD2 0.02 -0.07 -0.01 -0.04 3.22 3.12 3k7lA1 ARG 288 HD3 -0.01 -0.06 0.02 -0.04 3.22 3.13 3k7lA1 LYS 289 H -0.10 0.48 -0.27 -0.55 8.42 7.98 3k7lA1 LYS 289 HA -0.01 0.02 0.77 -0.75 4.32 4.35 3k7lA1 LYS 289 HB2 -0.13 -0.05 -0.33 -0.04 1.87 1.32 3k7lA1 LYS 289 HB3 -0.18 -0.02 -0.10 -0.04 1.79 1.45 3k7lA1 LYS 289 HG2 0.07 0.04 -0.08 -0.04 1.46 1.44 3k7lA1 LYS 289 HG3 0.16 -0.12 -0.10 -0.04 1.46 1.37 3k7lA1 LYS 289 HD2 0.15 0.06 -0.09 -0.04 1.69 1.76 3k7lA1 LYS 289 HD3 0.05 -0.01 0.08 -0.04 1.68 1.75 3k7lA1 LYS 289 HE2 0.09 -0.01 0.06 -0.04 2.99 3.09 3k7lA1 LYS 289 HE3 0.09 -0.03 0.05 -0.04 2.99 3.06 3k7lA1 ARG 290 H -0.01 0.07 0.10 -0.55 8.46 8.07 3k7lA1 ARG 290 HA -0.02 0.07 0.47 -0.75 4.34 4.10 3k7lA1 ARG 290 HB2 0.01 -0.00 0.04 -0.04 1.90 1.91 3k7lA1 ARG 290 HB3 -0.00 0.01 0.11 -0.04 1.80 1.87 3k7lA1 ARG 290 HG2 0.03 0.01 -0.09 -0.04 1.67 1.58 3k7lA1 ARG 290 HG3 0.02 -0.03 -0.02 -0.04 1.67 1.60 3k7lA1 ARG 290 HD2 0.01 0.02 0.06 -0.04 3.22 3.27 3k7lA1 ARG 290 HD3 0.02 -0.04 0.13 -0.04 3.22 3.29 3k7lA1 ASN 291 H 0.00 0.27 0.22 -0.55 8.53 8.48 3k7lA1 ASN 291 HA 0.07 0.02 0.31 -0.75 4.76 4.40 3k7lA1 ASN 291 HB2 0.12 0.04 0.16 -0.04 2.88 3.17 3k7lA1 ASN 291 HB3 0.07 0.19 -0.04 -0.04 2.79 2.97 3k7lA1 ASN 291 HD21 -0.18 -0.10 -0.15 -0.04 7.03 6.56 3k7lA1 ASN 291 HD22 -0.14 0.32 -0.39 -0.04 7.74 7.48 3k7lA1 ASP 292 H 0.11 0.51 0.30 -0.55 8.40 8.77 3k7lA1 ASP 292 HA 0.07 0.20 0.86 -0.75 4.63 5.01 3k7lA1 ASP 292 HB2 0.12 -0.03 0.06 -0.04 2.71 2.82 3k7lA1 ASP 292 HB3 0.10 -0.06 0.15 -0.04 2.70 2.85 3k7lA1 ASN 293 H 0.14 0.42 -0.08 -0.55 8.53 8.47 3k7lA1 ASN 293 HA 0.17 0.23 0.53 -0.75 4.76 4.94 3k7lA1 ASN 293 HB2 0.13 0.12 -0.44 -0.04 2.88 2.65 3k7lA1 ASN 293 HB3 0.27 -0.09 -0.27 -0.04 2.79 2.65 3k7lA1 ASN 293 HD21 0.26 -0.02 -0.21 -0.04 7.03 7.01 3k7lA1 ASN 293 HD22 0.36 -0.08 -0.23 -0.04 7.74 7.75 3k7lA1 ALA 294 H 0.25 0.43 0.30 -0.55 8.40 8.83 3k7lA1 ALA 294 HA 0.08 0.11 0.22 -0.75 4.34 4.00 3k7lA1 ALA 294 HB3 0.23 0.01 0.12 -0.04 1.41 1.73 3k7lA1 GLN 295 H -0.05 0.47 0.31 -0.55 8.47 8.65 3k7lA1 GLN 295 HA 0.24 0.29 0.93 -0.75 4.36 5.07 3k7lA1 GLN 295 HB2 0.20 -0.03 -0.01 -0.04 2.15 2.27 3k7lA1 GLN 295 HB3 0.10 -0.00 -0.19 -0.04 2.02 1.89 3k7lA1 GLN 295 HG2 0.21 -0.05 -0.12 -0.04 2.40 2.40 3k7lA1 GLN 295 HG3 0.45 0.01 -0.29 -0.04 2.39 2.52 3k7lA1 GLN 295 HE21 0.10 0.27 -0.04 -0.04 6.97 7.26 3k7lA1 GLN 295 HE22 0.14 0.00 -0.21 -0.04 7.69 7.58 3k7lA1 LEU 296 H -0.50 0.49 0.32 -0.55 8.37 8.14 3k7lA1 LEU 296 HA -0.49 0.16 0.94 -0.75 4.35 4.21 3k7lA1 LEU 296 HB2 -2.05 0.06 0.07 -0.04 1.64 -0.32 3k7lA1 LEU 296 HB3 -0.80 -0.03 0.20 -0.04 1.64 0.97 3k7lA1 LEU 296 HG -0.30 -0.03 -0.31 -0.04 1.64 0.96 3k7lA1 LEU 296 HD13 -0.51 -0.00 -0.08 -0.04 0.93 0.30 3k7lA1 LEU 296 HD23 -0.17 -0.02 -0.10 -0.04 0.89 0.57 3k7lA1 LEU 297 H -0.28 0.73 0.31 -0.55 8.37 8.58 3k7lA1 LEU 297 HA -0.08 0.22 0.83 -0.75 4.35 4.57 3k7lA1 LEU 297 HB2 -0.15 0.13 0.11 -0.04 1.64 1.69 3k7lA1 LEU 297 HB3 -0.12 -0.13 0.11 -0.04 1.64 1.46 3k7lA1 LEU 297 HG -0.05 -0.02 -0.10 -0.04 1.64 1.43 3k7lA1 LEU 297 HD13 -0.01 0.03 -0.18 -0.04 0.93 0.73 3k7lA1 LEU 297 HD23 -0.08 -0.01 -0.11 -0.04 0.89 0.65 3k7lA1 THR 298 H -0.10 0.64 0.29 -0.55 8.28 8.56 3k7lA1 THR 298 HA -0.10 -0.02 1.10 -0.75 4.39 4.62 3k7lA1 THR 298 HB -0.10 0.01 -0.12 -0.04 4.32 4.06 3k7lA1 THR 298 HG23 -0.19 0.10 -0.06 -0.04 1.22 1.02 3k7lA1 GLY 299 H -0.06 -0.11 0.10 -0.55 8.43 7.81 3k7lA1 GLY 299 HA2 -0.15 0.21 0.40 -0.51 4.01 3.96 3k7lA1 GLY 299 HA3 -0.10 0.02 0.04 -0.51 4.01 3.46 3k7lA1 ILE 300 H -0.15 -0.10 -0.24 -0.55 8.25 7.21 3k7lA1 ILE 300 HA -0.11 0.07 0.34 -0.75 4.18 3.73 3k7lA1 ILE 300 HB -0.08 -0.09 -0.06 -0.04 1.89 1.62 3k7lA1 ILE 300 HG12 -0.05 0.02 0.00 -0.04 1.49 1.42 3k7lA1 ILE 300 HG13 -0.02 0.00 -0.18 -0.04 1.21 0.98 3k7lA1 ILE 300 HG23 -0.28 -0.01 -0.43 -0.04 0.93 0.18 3k7lA1 ILE 300 HD13 -0.03 -0.04 -0.19 -0.04 0.88 0.58 3k7lA1 ASP 301 H -0.09 0.10 0.09 -0.55 8.40 7.94 3k7lA1 ASP 301 HA -0.13 0.16 0.66 -0.75 4.63 4.56 3k7lA1 ASP 301 HB2 -0.05 0.01 0.08 -0.04 2.71 2.70 3k7lA1 ASP 301 HB3 -0.03 -0.09 0.14 -0.04 2.70 2.68 3k7lA1 PHE 302 H -0.07 0.21 0.05 -0.55 8.34 7.98 3k7lA1 PHE 302 HA -0.02 0.00 0.38 -0.75 4.62 4.23 3k7lA1 PHE 302 HB2 -0.03 0.25 0.04 -0.04 3.15 3.36 3k7lA1 PHE 302 HB3 -0.03 -0.02 -0.06 -0.04 3.06 2.91 3k7lA1 PHE 302 HD2 -0.02 0.08 -0.25 -0.04 7.28 7.04 3k7lA1 PHE 302 HE2 -0.02 -0.01 -0.36 -0.04 7.38 6.95 3k7lA1 PHE 302 HZ -0.04 -0.05 -0.25 -0.04 7.32 6.93 3k7lA1 ASN 303 H 0.12 0.32 0.24 -0.55 8.53 8.67 3k7lA1 ASN 303 HA 0.04 0.09 0.59 -0.75 4.76 4.72 3k7lA1 ASN 303 HB2 0.01 0.00 0.05 -0.04 2.88 2.91 3k7lA1 ASN 303 HB3 0.03 0.01 0.09 -0.04 2.79 2.87 3k7lA1 ASN 303 HD21 0.00 -0.11 -0.00 -0.04 7.03 6.88 3k7lA1 ASN 303 HD22 -0.00 0.04 0.01 -0.04 7.74 7.74 3k7lA1 GLY 304 H 0.01 0.08 0.21 -0.55 8.43 8.18 3k7lA1 GLY 304 HA2 -0.01 -0.01 0.35 -0.51 4.01 3.83 3k7lA1 GLY 304 HA3 -0.01 0.01 0.56 -0.51 4.01 4.05 3k7lA1 THR 305 H -0.03 0.08 0.24 -0.55 8.28 8.02 3k7lA1 THR 305 HA -0.03 0.10 0.25 -0.75 4.39 3.95 3k7lA1 THR 305 HB -0.04 -0.06 0.14 -0.04 4.32 4.32 3k7lA1 THR 305 HG23 -0.06 -0.01 -0.08 -0.04 1.22 1.03 3k7lA1 PRO 306 HA -0.06 -0.13 0.63 -0.51 4.44 4.37 3k7lA1 PRO 306 HB2 -0.06 0.12 -0.00 -0.04 2.28 2.30 3k7lA1 PRO 306 HB3 -0.14 0.02 0.04 -0.04 2.02 1.90 3k7lA1 PRO 306 HG2 -0.09 0.03 0.11 -0.04 2.03 2.03 3k7lA1 PRO 306 HG3 -0.11 0.06 0.13 -0.04 2.03 2.07 3k7lA1 PRO 306 HD2 -0.05 -0.31 0.30 -0.04 3.68 3.58 3k7lA1 PRO 306 HD3 -0.07 0.14 0.11 -0.04 3.65 3.79 3k7lA1 VAL 307 H -0.05 0.10 0.26 -0.55 8.24 8.00 3k7lA1 VAL 307 HA 0.16 0.18 0.82 -0.75 4.13 4.53 3k7lA1 VAL 307 HB -0.20 0.06 0.15 -0.04 2.12 2.08 3k7lA1 VAL 307 HG13 -0.09 -0.02 0.02 -0.04 0.97 0.84 3k7lA1 VAL 307 HG23 -0.53 0.02 0.07 -0.04 0.95 0.47 3k7lA1 GLY 308 H -0.02 0.37 0.20 -0.55 8.43 8.43 3k7lA1 GLY 308 HA2 0.13 0.04 0.38 -0.51 4.01 4.06 3k7lA1 GLY 308 HA3 0.09 0.08 0.43 -0.51 4.01 4.10 3k7lA1 LEU 309 H -0.04 0.45 0.34 -0.55 8.37 8.58 3k7lA1 LEU 309 HA -0.07 0.06 0.22 -0.75 4.35 3.80 3k7lA1 LEU 309 HB2 -0.19 0.13 0.21 -0.04 1.64 1.75 3k7lA1 LEU 309 HB3 -0.20 -0.09 -0.08 -0.04 1.64 1.23 3k7lA1 LEU 309 HG -0.20 0.11 -0.12 -0.04 1.64 1.40 3k7lA1 LEU 309 HD13 -0.14 -0.00 0.05 -0.04 0.93 0.79 3k7lA1 LEU 309 HD23 -0.20 -0.04 -0.21 -0.04 0.89 0.41 3k7lA1 ALA 310 H -0.11 0.25 0.18 -0.55 8.40 8.18 3k7lA1 ALA 310 HA -0.05 0.17 1.02 -0.75 4.34 4.73 3k7lA1 ALA 310 HB3 0.08 0.01 0.06 -0.04 1.41 1.52 3k7lA1 TYR 311 H 0.09 0.31 0.25 -0.55 8.29 8.39 3k7lA1 TYR 311 HA -0.01 0.08 0.89 -0.75 4.56 4.77 3k7lA1 TYR 311 HB2 0.02 0.18 0.13 -0.04 3.06 3.34 3k7lA1 TYR 311 HB3 -0.00 0.01 0.08 -0.04 2.98 3.03 3k7lA1 TYR 311 HD2 0.03 0.12 0.12 -0.04 7.15 7.39 3k7lA1 TYR 311 HE2 0.05 -0.01 -0.03 -0.04 6.85 6.82 3k7lA1 ILE 312 H 0.09 0.11 0.09 -0.55 8.25 7.98 3k7lA1 ILE 312 HA -0.04 0.31 0.51 -0.75 4.18 4.21 3k7lA1 ILE 312 HB -0.03 -0.04 0.09 -0.04 1.89 1.87 3k7lA1 ILE 312 HG12 -0.10 -0.06 -0.03 -0.04 1.49 1.26 3k7lA1 ILE 312 HG13 -0.13 -0.08 -0.01 -0.04 1.21 0.95 3k7lA1 ILE 312 HG23 -0.10 0.03 -0.26 -0.04 0.93 0.57 3k7lA1 ILE 312 HD13 -0.19 0.08 -0.09 -0.04 0.88 0.64 3k7lA1 GLY 313 H -0.24 0.44 0.29 -0.55 8.43 8.37 3k7lA1 GLY 313 HA2 -1.05 0.08 0.36 -0.51 4.01 2.89 3k7lA1 GLY 313 HA3 -0.88 0.01 0.44 -0.51 4.01 3.06 3k7lA1 SER 314 H -0.10 0.41 0.15 -0.55 8.46 8.37 3k7lA1 SER 314 HA 0.05 0.19 0.76 -0.75 4.49 4.73 3k7lA1 SER 314 HB2 -0.01 -0.19 -0.16 -0.04 3.95 3.54 3k7lA1 SER 314 HB3 -0.00 0.07 -0.40 -0.04 3.93 3.56 3k7lA1 ILE 315 H 0.12 0.24 0.10 -0.55 8.25 8.15 3k7lA1 ILE 315 HA 0.09 0.05 0.64 -0.75 4.18 4.21 3k7lA1 ILE 315 HB 0.10 0.05 -0.02 -0.04 1.89 1.97 3k7lA1 ILE 315 HG12 0.08 -0.01 0.06 -0.04 1.49 1.57 3k7lA1 ILE 315 HG13 0.06 -0.01 -0.08 -0.04 1.21 1.14 3k7lA1 ILE 315 HG23 0.26 0.01 -0.08 -0.04 0.93 1.08 3k7lA1 ILE 315 HD13 0.12 -0.03 -0.01 -0.04 0.88 0.92 3k7lA1 CYS 316 H 0.09 0.44 0.28 -0.55 8.50 8.77 3k7lA1 CYS 316 HA 0.07 0.06 0.43 -0.75 4.58 4.40 3k7lA1 CYS 316 HB2 0.08 0.28 0.28 -0.04 2.97 3.57 3k7lA1 CYS 316 HB3 0.06 -0.08 0.20 -0.04 2.97 3.11 3k7lA1 ASN 317 H 0.06 0.40 -0.60 -0.55 8.53 7.84 3k7lA1 ASN 317 HA 0.02 0.12 0.58 -0.75 4.76 4.73 3k7lA1 ASN 317 HB2 0.03 0.14 0.04 -0.04 2.88 3.05 3k7lA1 ASN 317 HB3 -0.01 -0.10 0.12 -0.04 2.79 2.76 3k7lA1 ASN 317 HD21 -0.02 -0.02 0.02 -0.04 7.03 6.97 3k7lA1 ASN 317 HD22 0.01 0.11 0.03 -0.04 7.74 7.85 3k7lA1 PRO 318 HA -0.03 0.15 0.46 -0.51 4.44 4.51 3k7lA1 PRO 318 HB2 -0.04 0.01 -0.04 -0.04 2.28 2.17 3k7lA1 PRO 318 HB3 -0.04 0.07 0.12 -0.04 2.02 2.13 3k7lA1 PRO 318 HG2 -0.02 -0.01 0.11 -0.04 2.03 2.06 3k7lA1 PRO 318 HG3 -0.01 0.07 0.11 -0.04 2.03 2.16 3k7lA1 PRO 318 HD2 -0.00 0.04 0.28 -0.04 3.68 3.96 3k7lA1 PRO 318 HD3 0.00 0.33 0.28 -0.04 3.65 4.22 3k7lA1 LYS 319 H -0.05 0.06 -0.24 -0.55 8.42 7.64 3k7lA1 LYS 319 HA -0.06 0.20 0.47 -0.75 4.32 4.17 3k7lA1 LYS 319 HB2 -0.09 -0.01 0.07 -0.04 1.87 1.80 3k7lA1 LYS 319 HB3 -0.11 -0.00 -0.02 -0.04 1.79 1.62 3k7lA1 LYS 319 HG2 -0.05 0.04 -0.09 -0.04 1.46 1.32 3k7lA1 LYS 319 HG3 -0.04 0.01 -0.01 -0.04 1.46 1.38 3k7lA1 LYS 319 HD2 -0.06 -0.01 -0.03 -0.04 1.69 1.55 3k7lA1 LYS 319 HD3 -0.04 0.00 -0.03 -0.04 1.68 1.57 3k7lA1 LYS 319 HE2 -0.03 0.01 -0.02 -0.04 2.99 2.91 3k7lA1 LYS 319 HE3 -0.03 -0.02 -0.03 -0.04 2.99 2.88 3k7lA1 THR 320 H -0.08 0.07 -0.18 -0.55 8.28 7.54 3k7lA1 THR 320 HA -0.37 0.14 0.37 -0.75 4.39 3.78 3k7lA1 THR 320 HB -0.50 -0.04 0.09 -0.04 4.32 3.83 3k7lA1 THR 320 HG23 -0.56 -0.01 -0.14 -0.04 1.22 0.47 3k7lA1 SER 321 H -0.00 0.34 -0.05 -0.55 8.46 8.20 3k7lA1 SER 321 HA 0.09 0.07 0.64 -0.75 4.49 4.54 3k7lA1 SER 321 HB2 0.06 -0.02 0.24 -0.04 3.95 4.18 3k7lA1 SER 321 HB3 0.06 0.08 0.12 -0.04 3.93 4.15 3k7lA1 ALA 322 H 0.23 0.46 0.15 -0.55 8.40 8.69 3k7lA1 ALA 322 HA 0.30 0.21 0.87 -0.75 4.34 4.97 3k7lA1 ALA 322 HB3 0.29 0.01 -0.22 -0.04 1.41 1.44 3k7lA1 ALA 323 H 0.34 0.45 0.42 -0.55 8.40 9.06 3k7lA1 ALA 323 HA 0.14 0.21 0.43 -0.75 4.34 4.37 3k7lA1 ALA 323 HB3 0.13 0.01 0.14 -0.04 1.41 1.66 3k7lA1 VAL 324 H 0.05 0.46 0.35 -0.55 8.24 8.55 3k7lA1 VAL 324 HA -0.13 0.04 0.89 -0.75 4.13 4.17 3k7lA1 VAL 324 HB 0.01 0.04 -0.17 -0.04 2.12 1.97 3k7lA1 VAL 324 HG13 0.02 -0.06 -0.11 -0.04 0.97 0.79 3k7lA1 VAL 324 HG23 -0.15 0.00 -0.10 -0.04 0.95 0.66 3k7lA1 VAL 325 H 0.01 0.84 0.40 -0.55 8.24 8.94 3k7lA1 VAL 325 HA 0.17 0.14 1.00 -0.75 4.13 4.69 3k7lA1 VAL 325 HB 0.06 0.01 0.06 -0.04 2.12 2.20 3k7lA1 VAL 325 HG13 0.12 -0.01 -0.07 -0.04 0.97 0.98 3k7lA1 VAL 325 HG23 0.11 -0.02 -0.19 -0.04 0.95 0.81 3k7lA1 GLN 326 H 0.23 0.69 0.40 -0.55 8.47 9.24 3k7lA1 GLN 326 HA -0.13 0.17 0.95 -0.75 4.36 4.59 3k7lA1 GLN 326 HB2 -0.09 -0.05 0.03 -0.04 2.15 2.00 3k7lA1 GLN 326 HB3 0.16 -0.00 0.18 -0.04 2.02 2.32 3k7lA1 GLN 326 HG2 -0.02 -0.11 -0.38 -0.04 2.40 1.84 3k7lA1 GLN 326 HG3 -0.33 0.19 0.03 -0.04 2.39 2.24 3k7lA1 GLN 326 HE21 -0.04 -0.03 0.02 -0.04 6.97 6.88 3k7lA1 GLN 326 HE22 -0.05 0.02 -0.13 -0.04 7.69 7.48 3k7lA1 ASP 327 H -0.09 0.56 0.10 -0.55 8.40 8.42 3k7lA1 ASP 327 HA -0.09 0.08 0.58 -0.75 4.63 4.45 3k7lA1 ASP 327 HB2 -0.04 -0.07 -0.11 -0.04 2.71 2.45 3k7lA1 ASP 327 HB3 -0.08 -0.02 -0.02 -0.04 2.70 2.54 3k7lA1 TYR 328 H -0.31 0.26 0.10 -0.55 8.29 7.79 3k7lA1 TYR 328 HA -0.10 0.14 0.10 -0.75 4.56 3.94 3k7lA1 TYR 328 HB2 -0.03 0.02 0.08 -0.04 3.06 3.08 3k7lA1 TYR 328 HB3 -0.04 0.02 -0.04 -0.04 2.98 2.88 3k7lA1 TYR 328 HD2 -0.00 0.15 -0.04 -0.04 7.15 7.22 3k7lA1 TYR 328 HE2 0.01 -0.01 0.01 -0.04 6.85 6.82 3k7lA1 SER 329 H -0.41 0.16 -0.10 -0.55 8.46 7.57 3k7lA1 SER 329 HA -0.06 0.25 0.93 -0.75 4.49 4.86 3k7lA1 SER 329 HB2 -0.14 0.12 -0.13 -0.04 3.95 3.75 3k7lA1 SER 329 HB3 -0.47 -0.01 -0.06 -0.04 3.93 3.35 3k7lA1 SER 330 H -0.03 0.18 0.14 -0.55 8.46 8.20 3k7lA1 SER 330 HA 0.03 0.16 0.37 -0.75 4.49 4.30 3k7lA1 SER 330 HB2 0.02 0.02 0.01 -0.04 3.95 3.95 3k7lA1 SER 330 HB3 0.01 0.07 0.06 -0.04 3.93 4.04 3k7lA1 ARG 331 H -0.04 0.03 -0.13 -0.55 8.46 7.77 3k7lA1 ARG 331 HA -0.00 0.14 0.55 -0.75 4.34 4.27 3k7lA1 ARG 331 HB2 -0.02 0.03 0.13 -0.04 1.90 2.00 3k7lA1 ARG 331 HB3 -0.03 -0.17 0.18 -0.04 1.80 1.73 3k7lA1 ARG 331 HG2 0.01 0.03 0.00 -0.04 1.67 1.67 3k7lA1 ARG 331 HG3 0.00 0.01 0.02 -0.04 1.67 1.66 3k7lA1 ARG 331 HD2 0.00 -0.06 0.03 -0.04 3.22 3.16 3k7lA1 ARG 331 HD3 0.01 0.04 0.03 -0.04 3.22 3.26 3k7lA1 THR 332 H -0.00 0.33 0.20 -0.55 8.28 8.26 3k7lA1 THR 332 HA -0.04 0.05 0.15 -0.75 4.39 3.79 3k7lA1 THR 332 HB -0.02 0.04 0.09 -0.04 4.32 4.39 3k7lA1 THR 332 HG23 -0.01 0.04 0.09 -0.04 1.22 1.30 3k7lA1 ARG 333 H 0.00 0.08 -0.28 -0.55 8.46 7.72 3k7lA1 ARG 333 HA 0.02 0.11 0.34 -0.75 4.34 4.05 3k7lA1 ARG 333 HB2 0.04 0.02 0.04 -0.04 1.90 1.97 3k7lA1 ARG 333 HB3 0.03 -0.03 0.05 -0.04 1.80 1.80 3k7lA1 ARG 333 HG2 0.07 0.01 -0.07 -0.04 1.67 1.64 3k7lA1 ARG 333 HG3 0.10 0.05 0.00 -0.04 1.67 1.79 3k7lA1 ARG 333 HD2 0.09 0.05 -0.04 -0.04 3.22 3.27 3k7lA1 ARG 333 HD3 0.06 0.02 -0.02 -0.04 3.22 3.25 3k7lA1 MET 334 H -0.03 0.47 -0.20 -0.55 8.47 8.16 3k7lA1 MET 334 HA 0.04 0.10 0.10 -0.75 4.52 4.00 3k7lA1 MET 334 HB2 -0.09 0.11 0.13 -0.04 2.15 2.25 3k7lA1 MET 334 HB3 0.06 0.00 -0.07 -0.04 2.03 1.97 3k7lA1 MET 334 HG2 0.08 0.05 0.01 -0.04 2.63 2.73 3k7lA1 MET 334 HG3 0.03 -0.05 0.01 -0.04 2.56 2.51 3k7lA1 MET 334 HE3 0.04 -0.00 0.01 -0.04 2.10 2.11 3k7lA1 VAL 335 H -0.12 0.25 -0.17 -0.55 8.24 7.65 3k7lA1 VAL 335 HA -0.06 0.05 0.40 -0.75 4.13 3.77 3k7lA1 VAL 335 HB -0.09 0.05 0.06 -0.04 2.12 2.09 3k7lA1 VAL 335 HG13 -0.03 0.02 -0.13 -0.04 0.97 0.78 3k7lA1 VAL 335 HG23 -0.42 0.02 -0.00 -0.04 0.95 0.50 3k7lA1 ALA 336 H -0.02 0.49 -0.08 -0.55 8.40 8.24 3k7lA1 ALA 336 HA 0.02 -0.02 0.47 -0.75 4.34 4.05 3k7lA1 ALA 336 HB3 -0.00 0.03 0.09 -0.04 1.41 1.49 3k7lA1 ILE 337 H 0.00 0.59 -0.22 -0.55 8.25 8.07 3k7lA1 ILE 337 HA -0.09 0.08 0.60 -0.75 4.18 4.01 3k7lA1 ILE 337 HB 0.02 0.11 0.22 -0.04 1.89 2.19 3k7lA1 ILE 337 HG12 -0.22 0.10 0.09 -0.04 1.49 1.42 3k7lA1 ILE 337 HG13 -0.12 -0.05 -0.01 -0.04 1.21 0.99 3k7lA1 ILE 337 HG23 -0.06 -0.00 -0.05 -0.04 0.93 0.78 3k7lA1 ILE 337 HD13 0.04 -0.01 -0.01 -0.04 0.88 0.85 3k7lA1 THR 338 H 0.09 0.46 -0.06 -0.55 8.28 8.22 3k7lA1 THR 338 HA 0.11 0.00 0.35 -0.75 4.39 4.10 3k7lA1 THR 338 HB 0.20 0.15 0.22 -0.04 4.32 4.85 3k7lA1 THR 338 HG23 0.16 -0.01 -0.03 -0.04 1.22 1.29 3k7lA1 MET 339 H 0.07 0.55 -0.19 -0.55 8.47 8.36 3k7lA1 MET 339 HA 0.11 -0.03 0.28 -0.75 4.52 4.11 3k7lA1 MET 339 HB2 0.06 0.14 0.17 -0.04 2.15 2.48 3k7lA1 MET 339 HB3 0.09 -0.03 -0.08 -0.04 2.03 1.97 3k7lA1 MET 339 HG2 0.11 -0.05 -0.10 -0.04 2.63 2.54 3k7lA1 MET 339 HG3 0.07 0.09 -0.11 -0.04 2.56 2.57 3k7lA1 MET 339 HE3 0.22 -0.00 -0.15 -0.04 2.10 2.13 3k7lA1 ALA 340 H 0.03 0.70 -0.16 -0.55 8.40 8.42 3k7lA1 ALA 340 HA 0.14 -0.03 0.37 -0.75 4.34 4.07 3k7lA1 ALA 340 HB3 -0.06 0.03 0.11 -0.04 1.41 1.44 3k7lA1 HIS 341 H 0.10 0.72 -0.17 -0.55 8.41 8.52 3k7lA1 HIS 341 HA 0.13 0.11 0.75 -0.75 4.63 4.86 3k7lA1 HIS 341 HB2 -0.01 0.08 0.05 -0.04 3.26 3.34 3k7lA1 HIS 341 HB3 0.03 -0.04 0.07 -0.04 3.20 3.22 3k7lA1 HIS 341 HD2 0.19 0.08 -0.04 -0.04 6.97 7.15 3k7lA1 HIS 341 HE1 -0.75 0.09 -0.17 -0.04 7.75 6.86 3k7lA1 GLU 342 H 0.15 0.85 0.01 -0.55 8.60 9.06 3k7lA1 GLU 342 HA 0.32 -0.04 0.27 -0.75 4.29 4.08 3k7lA1 GLU 342 HB2 0.12 0.08 0.04 -0.04 2.09 2.29 3k7lA1 GLU 342 HB3 0.13 -0.07 0.02 -0.04 1.99 2.03 3k7lA1 GLU 342 HG2 0.15 0.34 0.08 -0.04 2.34 2.88 3k7lA1 GLU 342 HG3 0.12 -0.01 0.02 -0.04 2.34 2.44 3k7lA1 MET 343 H 0.03 0.44 -0.49 -0.55 8.47 7.91 3k7lA1 MET 343 HA -0.03 0.02 0.50 -0.75 4.52 4.24 3k7lA1 MET 343 HB2 -0.16 -0.05 -0.05 -0.04 2.15 1.85 3k7lA1 MET 343 HB3 -0.08 0.14 0.06 -0.04 2.03 2.12 3k7lA1 MET 343 HG2 -0.43 0.04 -0.26 -0.04 2.63 1.94 3k7lA1 MET 343 HG3 -0.26 -0.06 -0.08 -0.04 2.56 2.11 3k7lA1 MET 343 HE3 -0.93 -0.02 -0.17 -0.04 2.10 0.93 3k7lA1 GLY 344 H -0.13 0.62 -0.01 -0.55 8.43 8.37 3k7lA1 GLY 344 HA2 -0.50 0.02 0.38 -0.51 4.01 3.41 3k7lA1 GLY 344 HA3 -0.79 0.05 0.27 -0.51 4.01 3.03 3k7lA1 HIS 345 H -0.19 0.47 -0.23 -0.55 8.41 7.92 3k7lA1 HIS 345 HA -0.11 0.26 0.51 -0.75 4.63 4.53 3k7lA1 HIS 345 HB2 0.01 0.08 0.08 -0.04 3.26 3.39 3k7lA1 HIS 345 HB3 -0.07 0.00 -0.12 -0.04 3.20 2.97 3k7lA1 HIS 345 HD2 0.21 -0.05 -0.19 -0.04 6.97 6.90 3k7lA1 HIS 345 HE1 -0.01 -0.07 -0.31 -0.04 7.75 7.31 3k7lA1 ASN 346 H 0.00 0.39 -0.10 -0.55 8.53 8.28 3k7lA1 ASN 346 HA -0.00 0.17 0.42 -0.75 4.76 4.60 3k7lA1 ASN 346 HB2 -0.02 0.12 0.16 -0.04 2.88 3.10 3k7lA1 ASN 346 HB3 0.02 -0.14 0.01 -0.04 2.79 2.65 3k7lA1 ASN 346 HD21 0.17 0.02 -0.47 -0.04 7.03 6.71 3k7lA1 ASN 346 HD22 0.10 -0.05 -0.13 -0.04 7.74 7.61 3k7lA1 LEU 347 H -0.18 0.52 -0.29 -0.55 8.37 7.88 3k7lA1 LEU 347 HA 0.01 0.09 0.74 -0.75 4.35 4.43 3k7lA1 LEU 347 HB2 -0.40 -0.01 0.12 -0.04 1.64 1.30 3k7lA1 LEU 347 HB3 -0.07 0.01 0.21 -0.04 1.64 1.75 3k7lA1 LEU 347 HG -0.21 -0.02 -0.09 -0.04 1.64 1.28 3k7lA1 LEU 347 HD13 -0.34 -0.04 -0.20 -0.04 0.93 0.30 3k7lA1 LEU 347 HD23 -1.18 -0.00 -0.12 -0.04 0.89 -0.45 3k7lA1 GLY 348 H -0.26 0.36 -0.51 -0.55 8.43 7.48 3k7lA1 GLY 348 HA2 -0.39 -0.04 0.30 -0.51 4.01 3.36 3k7lA1 GLY 348 HA3 -0.36 0.10 0.22 -0.51 4.01 3.46 3k7lA1 MET 349 H -0.17 0.60 -0.21 -0.55 8.47 8.15 3k7lA1 MET 349 HA -0.04 0.00 0.69 -0.75 4.52 4.42 3k7lA1 MET 349 HB2 -0.25 -0.08 -0.32 -0.04 2.15 1.46 3k7lA1 MET 349 HB3 -0.11 -0.10 0.00 -0.04 2.03 1.78 3k7lA1 MET 349 HG2 -0.27 0.06 0.02 -0.04 2.63 2.40 3k7lA1 MET 349 HG3 -0.42 0.34 0.01 -0.04 2.56 2.45 3k7lA1 MET 349 HE3 -1.57 0.02 -0.06 -0.04 2.10 0.44 3k7lA1 ASN 350 H 0.00 0.07 0.08 -0.55 8.53 8.14 3k7lA1 ASN 350 HA -0.05 0.13 0.44 -0.75 4.76 4.53 3k7lA1 ASN 350 HB2 0.02 -0.07 -0.03 -0.04 2.88 2.75 3k7lA1 ASN 350 HB3 0.02 0.11 -0.14 -0.04 2.79 2.74 3k7lA1 ASN 350 HD21 0.02 0.05 -0.02 -0.04 7.03 7.04 3k7lA1 ASN 350 HD22 0.02 -0.05 -0.03 -0.04 7.74 7.64 3k7lA1 HIS 351 H -0.34 0.18 0.10 -0.55 8.41 7.81 3k7lA1 HIS 351 HA 0.11 0.09 0.85 -0.75 4.63 4.93 3k7lA1 HIS 351 HB2 -0.01 0.05 0.13 -0.04 3.26 3.40 3k7lA1 HIS 351 HB3 -0.01 -0.06 0.03 -0.04 3.20 3.12 3k7lA1 HIS 351 HD2 -0.06 0.02 0.07 -0.04 6.97 6.96 3k7lA1 HIS 351 HE1 -0.57 -0.03 0.01 -0.04 7.75 7.12 3k7lA1 ASP 352 H 0.08 0.21 0.04 -0.55 8.40 8.18 3k7lA1 ASP 352 HA 0.06 0.13 0.41 -0.75 4.63 4.47 3k7lA1 ASP 352 HB2 0.05 0.05 0.09 -0.04 2.71 2.85 3k7lA1 ASP 352 HB3 0.05 0.06 -0.08 -0.04 2.70 2.70 3k7lA1 ARG 353 H 0.08 0.03 -0.01 -0.55 8.46 8.00 3k7lA1 ARG 353 HA -0.06 0.02 -0.16 -0.75 4.34 3.39 3k7lA1 ARG 353 HB2 0.05 0.02 0.14 -0.04 1.90 2.07 3k7lA1 ARG 353 HB3 -0.10 -0.03 0.10 -0.04 1.80 1.74 3k7lA1 ARG 353 HG2 -0.02 -0.03 0.04 -0.04 1.67 1.63 3k7lA1 ARG 353 HG3 -0.04 0.12 0.07 -0.04 1.67 1.79 3k7lA1 ARG 353 HD2 -0.29 -0.00 0.07 -0.04 3.22 2.96 3k7lA1 ARG 353 HD3 -0.26 -0.12 0.04 -0.04 3.22 2.85 3k7lA1 GLY 354 H -0.18 0.04 0.13 -0.55 8.43 7.87 3k7lA1 GLY 354 HA2 0.21 -0.04 0.38 -0.51 4.01 4.06 3k7lA1 GLY 354 HA3 0.10 0.16 0.75 -0.51 4.01 4.52 3k7lA1 PHE 355 H -0.33 -0.13 0.07 -0.55 8.34 7.40 3k7lA1 PHE 355 HA 0.05 -0.08 0.29 -0.75 4.62 4.12 3k7lA1 PHE 355 HB2 0.03 0.16 -0.33 -0.04 3.15 2.97 3k7lA1 PHE 355 HB3 0.05 -0.19 0.08 -0.04 3.06 2.96 3k7lA1 PHE 355 HD2 0.03 -0.05 -0.01 -0.04 7.28 7.21 3k7lA1 PHE 355 HE2 -0.01 0.03 -0.02 -0.04 7.38 7.35 3k7lA1 PHE 355 HZ -0.01 0.05 -0.01 -0.04 7.32 7.30 3k7lA1 CYS 356 H 0.28 -0.01 0.10 -0.55 8.50 8.32 3k7lA1 CYS 356 HA 0.11 0.13 0.14 -0.75 4.58 4.20 3k7lA1 CYS 356 HB2 0.21 -0.01 0.14 -0.04 2.97 3.27 3k7lA1 CYS 356 HB3 0.11 -0.08 0.14 -0.04 2.97 3.10 3k7lA1 THR 357 H 0.07 0.06 0.02 -0.55 8.28 7.88 3k7lA1 THR 357 HA 0.05 0.14 0.28 -0.75 4.39 4.11 3k7lA1 THR 357 HB 0.03 0.01 0.21 -0.04 4.32 4.52 3k7lA1 THR 357 HG23 0.04 0.04 0.08 -0.04 1.22 1.34 3k7lA1 CYS 358 H 0.05 -0.09 0.04 -0.55 8.50 7.95 3k7lA1 CYS 358 HA 0.05 -0.01 0.22 -0.75 4.58 4.09 3k7lA1 CYS 358 HB2 0.02 0.17 -0.82 -0.04 2.97 2.29 3k7lA1 CYS 358 HB3 0.01 0.07 -0.25 -0.04 2.97 2.76 3k7lA1 GLY 359 H 0.02 0.20 0.10 -0.55 8.43 8.21 3k7lA1 GLY 359 HA2 -0.10 0.24 0.44 -0.51 4.01 4.09 3k7lA1 GLY 359 HA3 -0.05 -0.09 -0.14 -0.51 4.01 3.22 3k7lA1 PHE 360 H -0.94 0.12 0.03 -0.55 8.34 7.00 3k7lA1 PHE 360 HA 0.02 0.09 0.30 -0.75 4.62 4.28 3k7lA1 PHE 360 HB2 0.02 0.02 0.04 -0.04 3.15 3.20 3k7lA1 PHE 360 HB3 0.02 0.07 0.11 -0.04 3.06 3.22 3k7lA1 PHE 360 HD2 0.04 0.01 0.01 -0.04 7.28 7.30 3k7lA1 PHE 360 HE2 0.06 -0.09 0.08 -0.04 7.38 7.39 3k7lA1 PHE 360 HZ 0.07 0.06 0.08 -0.04 7.32 7.49 3k7lA1 TYR 374 HA -0.12 -0.04 0.22 -0.75 4.56 3.86 3k7lA1 TYR 374 HB2 -0.07 -0.04 0.05 -0.04 3.06 2.96 3k7lA1 TYR 374 HB3 -0.11 -0.07 0.04 -0.04 2.98 2.81 3k7lA1 TYR 374 HD2 -0.08 -0.03 -0.07 -0.04 7.15 6.93 3k7lA1 TYR 374 HE2 -0.04 0.02 -0.06 -0.04 6.85 6.73 3k7lA1 GLN 375 H -0.04 0.04 0.07 -0.55 8.47 8.00 3k7lA1 GLN 375 HA -0.60 0.30 0.95 -0.75 4.36 4.25 3k7lA1 GLN 375 HB2 -0.08 -0.16 0.22 -0.04 2.15 2.08 3k7lA1 GLN 375 HB3 -0.12 0.12 0.08 -0.04 2.02 2.06 3k7lA1 GLN 375 HG2 -0.00 0.02 0.01 -0.04 2.40 2.38 3k7lA1 GLN 375 HG3 0.12 -0.00 -0.03 -0.04 2.39 2.44 3k7lA1 GLN 375 HE21 -0.10 -0.04 -0.17 -0.04 6.97 6.62 3k7lA1 GLN 375 HE22 -0.05 0.02 -0.05 -0.04 7.69 7.57 3k7lA1 PHE 376 H -0.03 0.24 0.16 -0.55 8.34 8.16 3k7lA1 PHE 376 HA -0.02 0.16 0.90 -0.75 4.62 4.90 3k7lA1 PHE 376 HB2 -0.04 0.03 0.00 -0.04 3.15 3.10 3k7lA1 PHE 376 HB3 -0.02 -0.03 0.01 -0.04 3.06 2.98 3k7lA1 PHE 376 HD2 -0.09 -0.03 -0.03 -0.04 7.28 7.08 3k7lA1 PHE 376 HE2 -0.77 0.02 -0.10 -0.04 7.38 6.49 3k7lA1 PHE 376 HZ -0.64 0.07 -0.14 -0.04 7.32 6.57 3k7lA1 SER 377 H 0.17 0.14 0.16 -0.55 8.46 8.39 3k7lA1 SER 377 HA 0.29 0.12 0.55 -0.75 4.49 4.70 3k7lA1 SER 377 HB2 0.25 -0.04 0.12 -0.04 3.95 4.25 3k7lA1 SER 377 HB3 0.14 0.11 0.15 -0.04 3.93 4.28 3k7lA1 SER 378 H 0.46 0.14 0.19 -0.55 8.46 8.70 3k7lA1 SER 378 HA 0.17 0.19 0.43 -0.75 4.49 4.53 3k7lA1 SER 378 HB2 0.01 0.09 0.04 -0.04 3.95 4.05 3k7lA1 SER 378 HB3 0.01 0.11 0.14 -0.04 3.93 4.15 3k7lA1 CYS 379 H 0.13 -0.00 -0.20 -0.55 8.50 7.88 3k7lA1 CYS 379 HA 0.05 0.12 0.25 -0.75 4.58 4.25 3k7lA1 CYS 379 HB2 0.07 0.03 -0.08 -0.04 2.97 2.95 3k7lA1 CYS 379 HB3 0.05 0.12 0.01 -0.04 2.97 3.12 3k7lA1 SER 380 H 0.11 0.02 -0.39 -0.55 8.46 7.64 3k7lA1 SER 380 HA 0.03 0.06 0.53 -0.75 4.49 4.36 3k7lA1 SER 380 HB2 0.14 -0.04 0.13 -0.04 3.95 4.14 3k7lA1 SER 380 HB3 -0.03 0.07 0.06 -0.04 3.93 3.99 3k7lA1 VAL 381 H 0.09 0.36 -0.22 -0.55 8.24 7.91 3k7lA1 VAL 381 HA 0.07 0.07 0.40 -0.75 4.13 3.91 3k7lA1 VAL 381 HB 0.11 0.07 0.04 -0.04 2.12 2.29 3k7lA1 VAL 381 HG13 0.12 0.04 -0.10 -0.04 0.97 0.99 3k7lA1 VAL 381 HG23 0.09 0.02 0.06 -0.04 0.95 1.09 3k7lA1 ARG 382 H 0.05 0.47 0.03 -0.55 8.46 8.46 3k7lA1 ARG 382 HA 0.03 0.06 0.49 -0.75 4.34 4.16 3k7lA1 ARG 382 HB2 0.02 0.00 0.09 -0.04 1.90 1.98 3k7lA1 ARG 382 HB3 0.03 -0.02 0.10 -0.04 1.80 1.87 3k7lA1 ARG 382 HG2 0.03 -0.08 0.03 -0.04 1.67 1.61 3k7lA1 ARG 382 HG3 0.03 0.09 -0.21 -0.04 1.67 1.54 3k7lA1 ARG 382 HD2 0.02 -0.01 -0.01 -0.04 3.22 3.17 3k7lA1 ARG 382 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.15 3k7lA1 GLU 383 H 0.04 0.38 -0.37 -0.55 8.60 8.11 3k7lA1 GLU 383 HA 0.05 -0.01 0.21 -0.75 4.29 3.79 3k7lA1 GLU 383 HB2 0.03 0.04 0.28 -0.04 2.09 2.39 3k7lA1 GLU 383 HB3 0.03 0.14 0.14 -0.04 1.99 2.26 3k7lA1 GLU 383 HG2 0.03 -0.01 0.03 -0.04 2.34 2.35 3k7lA1 GLU 383 HG3 0.04 -0.00 0.06 -0.04 2.34 2.39 3k7lA1 HIS 384 H 0.10 0.39 0.01 -0.55 8.41 8.37 3k7lA1 HIS 384 HA 0.06 0.17 0.43 -0.75 4.63 4.54 3k7lA1 HIS 384 HB2 -0.16 -0.07 0.09 -0.04 3.26 3.07 3k7lA1 HIS 384 HB3 -0.07 0.03 0.19 -0.04 3.20 3.30 3k7lA1 HIS 384 HD2 0.08 0.26 0.15 -0.04 6.97 7.42 3k7lA1 HIS 384 HE1 0.17 0.12 -0.01 -0.04 7.75 7.99 3k7lA1 GLN 385 H -0.05 0.60 -0.19 -0.55 8.47 8.28 3k7lA1 GLN 385 HA -0.24 0.02 0.30 -0.75 4.36 3.69 3k7lA1 GLN 385 HB2 -0.02 0.04 0.13 -0.04 2.15 2.26 3k7lA1 GLN 385 HB3 -0.03 -0.07 -0.01 -0.04 2.02 1.87 3k7lA1 GLN 385 HG2 -0.12 0.01 0.04 -0.04 2.40 2.29 3k7lA1 GLN 385 HG3 -0.02 0.59 0.13 -0.04 2.39 3.05 3k7lA1 GLN 385 HE21 0.03 -0.06 -0.04 -0.04 6.97 6.87 3k7lA1 GLN 385 HE22 0.04 0.08 -0.01 -0.04 7.69 7.75 3k7lA1 ARG 386 H 0.02 0.61 -0.09 -0.55 8.46 8.44 3k7lA1 ARG 386 HA 0.00 -0.05 0.48 -0.75 4.34 4.02 3k7lA1 ARG 386 HB2 0.04 0.28 0.27 -0.04 1.90 2.45 3k7lA1 ARG 386 HB3 0.07 0.01 0.03 -0.04 1.80 1.86 3k7lA1 ARG 386 HG2 0.02 -0.06 0.05 -0.04 1.67 1.64 3k7lA1 ARG 386 HG3 0.03 -0.05 0.01 -0.04 1.67 1.61 3k7lA1 ARG 386 HD2 0.02 -0.05 -0.01 -0.04 3.22 3.14 3k7lA1 ARG 386 HD3 0.04 0.01 -0.04 -0.04 3.22 3.19 3k7lA1 TYR 387 H 0.16 0.74 0.07 -0.55 8.29 8.72 3k7lA1 TYR 387 HA 0.01 -0.03 0.54 -0.75 4.56 4.33 3k7lA1 TYR 387 HB2 0.02 -0.05 0.13 -0.04 3.06 3.13 3k7lA1 TYR 387 HB3 0.03 0.24 0.23 -0.04 2.98 3.45 3k7lA1 TYR 387 HD2 0.07 0.11 -0.03 -0.04 7.15 7.26 3k7lA1 TYR 387 HE2 0.06 0.02 -0.06 -0.04 6.85 6.82 3k7lA1 LEU 388 H -0.05 0.67 -0.02 -0.55 8.37 8.42 3k7lA1 LEU 388 HA -0.33 -0.04 0.43 -0.75 4.35 3.66 3k7lA1 LEU 388 HB2 -0.06 0.05 0.14 -0.04 1.64 1.73 3k7lA1 LEU 388 HB3 0.21 0.00 -0.05 -0.04 1.64 1.77 3k7lA1 LEU 388 HG 0.20 -0.01 -0.00 -0.04 1.64 1.79 3k7lA1 LEU 388 HD13 0.23 0.01 -0.02 -0.04 0.93 1.11 3k7lA1 LEU 388 HD23 0.10 -0.00 -0.06 -0.04 0.89 0.88 3k7lA1 LEU 389 H -0.06 0.72 -0.09 -0.55 8.37 8.39 3k7lA1 LEU 389 HA -0.19 -0.02 0.41 -0.75 4.35 3.80 3k7lA1 LEU 389 HB2 -0.04 0.14 0.28 -0.04 1.64 1.99 3k7lA1 LEU 389 HB3 -0.06 -0.07 -0.08 -0.04 1.64 1.39 3k7lA1 LEU 389 HG -0.04 -0.12 0.03 -0.04 1.64 1.47 3k7lA1 LEU 389 HD13 0.02 0.00 -0.02 -0.04 0.93 0.89 3k7lA1 LEU 389 HD23 -0.00 -0.02 -0.08 -0.04 0.89 0.75 3k7lA1 ARG 390 H -0.09 0.83 -0.00 -0.55 8.46 8.65 3k7lA1 ARG 390 HA -0.06 -0.02 0.57 -0.75 4.34 4.07 3k7lA1 ARG 390 HB2 -0.00 -0.07 0.09 -0.04 1.90 1.88 3k7lA1 ARG 390 HB3 -0.01 0.07 0.13 -0.04 1.80 1.94 3k7lA1 ARG 390 HG2 -0.00 0.02 -0.17 -0.04 1.67 1.48 3k7lA1 ARG 390 HG3 -0.00 -0.08 0.04 -0.04 1.67 1.58 3k7lA1 ARG 390 HD2 0.07 0.01 -0.04 -0.04 3.22 3.22 3k7lA1 ARG 390 HD3 0.04 -0.04 -0.02 -0.04 3.22 3.15 3k7lA1 ASP 391 H -0.24 0.61 -0.05 -0.55 8.40 8.17 3k7lA1 ASP 391 HA -0.08 0.09 0.73 -0.75 4.63 4.62 3k7lA1 ASP 391 HB2 -0.50 0.11 -0.04 -0.04 2.71 2.24 3k7lA1 ASP 391 HB3 -0.10 -0.09 -0.14 -0.04 2.70 2.33 3k7lA1 ARG 392 H -0.21 0.65 0.07 -0.55 8.46 8.42 3k7lA1 ARG 392 HA -0.08 0.06 0.41 -0.75 4.34 3.97 3k7lA1 ARG 392 HB2 -0.13 -0.03 -0.13 -0.04 1.90 1.57 3k7lA1 ARG 392 HB3 -0.18 -0.07 0.06 -0.04 1.80 1.56 3k7lA1 ARG 392 HG2 -0.32 0.42 0.18 -0.04 1.67 1.90 3k7lA1 ARG 392 HG3 -0.21 0.03 -0.21 -0.04 1.67 1.24 3k7lA1 ARG 392 HD2 -0.49 -0.03 0.03 -0.04 3.22 2.69 3k7lA1 ARG 392 HD3 -0.27 -0.09 -0.02 -0.04 3.22 2.80 3k7lA1 PRO 393 HA 0.02 0.12 0.28 -0.51 4.44 4.36 3k7lA1 PRO 393 HB2 0.09 -0.14 -0.13 -0.04 2.28 2.07 3k7lA1 PRO 393 HB3 0.07 0.10 -0.01 -0.04 2.02 2.14 3k7lA1 PRO 393 HG2 0.12 -0.04 -0.04 -0.04 2.03 2.02 3k7lA1 PRO 393 HG3 -0.02 0.03 -0.07 -0.04 2.03 1.94 3k7lA1 PRO 393 HD2 0.05 0.09 0.09 -0.04 3.68 3.86 3k7lA1 PRO 393 HD3 -0.22 0.12 0.01 -0.04 3.65 3.51 3k7lA1 GLN 394 H 0.06 0.10 0.19 -0.55 8.47 8.28 3k7lA1 GLN 394 HA 0.10 0.17 0.17 -0.75 4.36 4.04 3k7lA1 GLN 394 HB2 0.09 0.07 0.16 -0.04 2.15 2.42 3k7lA1 GLN 394 HB3 0.08 -0.04 0.14 -0.04 2.02 2.16 3k7lA1 GLN 394 HG2 0.17 -0.00 0.02 -0.04 2.40 2.55 3k7lA1 GLN 394 HG3 0.09 -0.05 -0.03 -0.04 2.39 2.36 3k7lA1 GLN 394 HE21 0.22 0.02 -0.02 -0.04 6.97 7.14 3k7lA1 GLN 394 HE22 0.13 0.02 0.03 -0.04 7.69 7.83 3k7lA1 CYS 395 H 0.08 0.10 0.02 -0.55 8.50 8.16 3k7lA1 CYS 395 HA 0.07 0.04 0.07 -0.75 4.58 4.00 3k7lA1 CYS 395 HB2 0.07 -0.01 0.12 -0.04 2.97 3.10 3k7lA1 CYS 395 HB3 0.06 0.03 0.16 -0.04 2.97 3.18 3k7lA1 ILE 396 H 0.10 0.20 -0.35 -0.55 8.25 7.65 3k7lA1 ILE 396 HA 0.12 0.34 0.36 -0.75 4.18 4.24 3k7lA1 ILE 396 HB 0.05 -0.07 0.09 -0.04 1.89 1.92 3k7lA1 ILE 396 HG12 0.12 0.10 -0.13 -0.04 1.49 1.54 3k7lA1 ILE 396 HG13 0.04 0.10 -0.39 -0.04 1.21 0.92 3k7lA1 ILE 396 HG23 0.22 -0.04 -0.08 -0.04 0.93 0.98 3k7lA1 ILE 396 HD13 0.10 -0.01 -0.09 -0.04 0.88 0.84 3k7lA1 LEU 397 H 0.08 0.36 -0.45 -0.55 8.37 7.82 3k7lA1 LEU 397 HA 0.06 0.18 0.77 -0.75 4.35 4.60 3k7lA1 LEU 397 HB2 0.07 0.24 0.16 -0.04 1.64 2.08 3k7lA1 LEU 397 HB3 0.05 -0.14 0.03 -0.04 1.64 1.54 3k7lA1 LEU 397 HG 0.05 -0.01 0.12 -0.04 1.64 1.76 3k7lA1 LEU 397 HD13 0.11 0.04 -0.09 -0.04 0.93 0.95 3k7lA1 LEU 397 HD23 0.13 -0.02 0.02 -0.04 0.89 0.98 3k7lA1 ASN 398 H 0.08 0.37 -0.01 -0.55 8.53 8.42 3k7lA1 ASN 398 HA 0.02 0.13 0.85 -0.75 4.76 5.01 3k7lA1 ASN 398 HB2 -0.01 -0.04 -0.02 -0.04 2.88 2.77 3k7lA1 ASN 398 HB3 0.01 -0.03 0.00 -0.04 2.79 2.73 3k7lA1 ASN 398 HD21 0.02 -0.05 -0.11 -0.04 7.03 6.85 3k7lA1 ASN 398 HD22 -0.01 -0.02 -0.22 -0.04 7.74 7.45 3k7lA1 LYS 399 H -0.10 0.10 0.11 -0.55 8.42 7.98 3k7lA1 LYS 399 HA -1.37 0.11 0.34 -0.75 4.32 2.65 3k7lA1 LYS 399 HB2 -0.23 0.05 0.07 -0.04 1.87 1.72 3k7lA1 LYS 399 HB3 -0.14 -0.09 0.17 -0.04 1.79 1.69 3k7lA1 LYS 399 HG2 -0.13 0.12 -0.30 -0.04 1.46 1.11 3k7lA1 LYS 399 HG3 -0.22 0.02 -0.08 -0.04 1.46 1.14 3k7lA1 LYS 399 HD2 -0.08 -0.00 0.01 -0.04 1.69 1.58 3k7lA1 LYS 399 HD3 -0.12 -0.07 -0.04 -0.04 1.68 1.41 3k7lA1 LYS 399 HE2 -0.18 -0.06 -0.03 -0.04 2.99 2.67 3k7lA1 LYS 399 HE3 -0.16 0.05 -0.03 -0.04 2.99 2.82 3k7lA1 PRO 400 HA -0.01 -0.00 0.15 -0.51 4.44 4.07 3k7lA1 PRO 400 HB2 0.08 0.01 -0.22 -0.04 2.28 2.10 3k7lA1 PRO 400 HB3 0.02 0.01 -0.05 -0.04 2.02 1.96 3k7lA1 PRO 400 HG2 -0.11 -0.01 -0.11 -0.04 2.03 1.76 3k7lA1 PRO 400 HG3 -0.02 0.06 -0.07 -0.04 2.03 1.95 3k7lA1 PRO 400 HD2 -0.28 0.04 0.02 -0.04 3.68 3.42 3k7lA1 PRO 400 HD3 -0.41 0.30 0.19 -0.04 3.65 3.68 3k7lA1 LEU 401 H 0.03 0.09 0.12 -0.55 8.37 8.06 3k7lA1 LEU 401 HA 0.01 0.12 0.43 -0.75 4.35 4.15 3k7lA1 LEU 401 HB2 0.02 0.03 0.19 -0.04 1.64 1.84 3k7lA1 LEU 401 HB3 0.02 -0.30 -0.06 -0.04 1.64 1.26 3k7lA1 LEU 401 HG 0.00 0.03 0.04 -0.04 1.64 1.67 3k7lA1 LEU 401 HD13 -0.01 0.00 0.03 -0.04 0.93 0.91 3k7lA1 LEU 401 HD23 -0.01 0.03 0.03 -0.04 0.89 0.89 3k7lA1 SER 402 H -0.00 0.16 0.15 -0.55 8.46 8.22 3k7lA1 SER 402 HA 0.21 0.15 0.10 -0.75 4.49 4.20 3k7lA1 SER 402 HB2 0.02 0.03 0.13 -0.04 3.95 4.09 3k7lA1 SER 402 HB3 -0.10 0.08 0.09 -0.04 3.93 3.95 3k7lA1 THR 403 H 0.03 -0.06 -0.82 -0.55 8.28 6.89 3k7lA1 THR 403 HA 0.02 0.05 0.15 -0.75 4.39 3.86 3k7lA1 THR 403 HB 0.01 0.04 0.01 -0.04 4.32 4.34 3k7lA1 THR 403 HG23 0.00 -0.02 -0.01 -0.04 1.22 1.15 3k7lA1 ASP 404 H 0.05 0.32 -0.17 -0.55 8.40 8.04 3k7lA1 ASP 404 HA 0.04 0.03 0.20 -0.75 4.63 4.14 3k7lA1 ASP 404 HB2 0.05 0.19 0.08 -0.04 2.71 2.99 3k7lA1 ASP 404 HB3 0.05 0.01 0.02 -0.04 2.70 2.73 3k7lA1 ILE 405 H 0.06 0.24 -0.51 -0.55 8.25 7.49 3k7lA1 ILE 405 HA 0.04 0.15 0.48 -0.75 4.18 4.09 3k7lA1 ILE 405 HB 0.09 0.11 0.03 -0.04 1.89 2.08 3k7lA1 ILE 405 HG12 0.05 -0.07 -0.21 -0.04 1.49 1.21 3k7lA1 ILE 405 HG13 0.09 -0.11 -0.29 -0.04 1.21 0.87 3k7lA1 ILE 405 HG23 0.06 -0.02 -0.14 -0.04 0.93 0.79 3k7lA1 ILE 405 HD13 0.37 0.03 -0.17 -0.04 0.88 1.07 3k7lA1 VAL 406 H 0.01 0.54 0.32 -0.55 8.24 8.55 3k7lA1 VAL 406 HA -0.02 0.23 0.80 -0.75 4.13 4.39 3k7lA1 VAL 406 HB 0.00 0.02 -0.09 -0.04 2.12 2.01 3k7lA1 VAL 406 HG13 0.04 -0.05 -0.21 -0.04 0.97 0.70 3k7lA1 VAL 406 HG23 0.01 0.02 -0.14 -0.04 0.95 0.80 3k7lA1 SER 407 H -0.06 0.03 0.02 -0.55 8.46 7.90 3k7lA1 SER 407 HA -0.76 0.09 0.57 -0.75 4.49 3.64 3k7lA1 SER 407 HB2 -0.23 0.10 -0.02 -0.04 3.95 3.76 3k7lA1 SER 407 HB3 -0.07 -0.10 0.05 -0.04 3.93 3.77 3k7lA1 PRO 408 HA -0.11 0.10 0.38 -0.51 4.44 4.29 3k7lA1 PRO 408 HB2 -0.09 -0.03 -0.00 -0.04 2.28 2.12 3k7lA1 PRO 408 HB3 -0.06 0.05 0.06 -0.04 2.02 2.03 3k7lA1 PRO 408 HG2 -0.11 -0.03 0.05 -0.04 2.03 1.90 3k7lA1 PRO 408 HG3 -0.17 0.04 0.07 -0.04 2.03 1.94 3k7lA1 PRO 408 HD2 -0.80 0.02 0.15 -0.04 3.68 3.01 3k7lA1 PRO 408 HD3 -1.31 0.13 0.20 -0.04 3.65 2.63 3k7lA1 PRO 409 HA 0.04 -0.02 0.56 -0.51 4.44 4.51 3k7lA1 PRO 409 HB2 0.00 -0.05 -0.05 -0.04 2.28 2.14 3k7lA1 PRO 409 HB3 0.02 -0.00 -0.10 -0.04 2.02 1.89 3k7lA1 PRO 409 HG2 -0.00 0.07 0.07 -0.04 2.03 2.13 3k7lA1 PRO 409 HG3 0.01 0.00 0.08 -0.04 2.03 2.08 3k7lA1 PRO 409 HD2 -0.03 0.01 0.20 -0.04 3.68 3.82 3k7lA1 PRO 409 HD3 -0.03 0.27 0.10 -0.04 3.65 3.95 3k7lA1 ILE 410 H 0.07 0.19 0.11 -0.55 8.25 8.07 3k7lA1 ILE 410 HA 0.03 0.19 0.76 -0.75 4.18 4.40 3k7lA1 ILE 410 HB 0.09 -0.04 0.06 -0.04 1.89 1.96 3k7lA1 ILE 410 HG12 0.04 0.16 -0.21 -0.04 1.49 1.44 3k7lA1 ILE 410 HG13 0.06 -0.04 -0.06 -0.04 1.21 1.13 3k7lA1 ILE 410 HG23 0.05 -0.04 -0.30 -0.04 0.93 0.61 3k7lA1 ILE 410 HD13 0.03 0.03 -0.07 -0.04 0.88 0.83 3k7lA1 CYS 411 H 0.01 0.24 -0.04 -0.55 8.50 8.17 3k7lA1 CYS 411 HA -0.00 0.04 0.60 -0.75 4.58 4.46 3k7lA1 CYS 411 HB2 -0.00 0.06 0.00 -0.04 2.97 2.99 3k7lA1 CYS 411 HB3 -0.00 0.01 0.16 -0.04 2.97 3.09 3k7lA1 GLY 412 H -0.03 0.08 0.19 -0.55 8.43 8.12 3k7lA1 GLY 412 HA2 -0.15 -0.07 0.19 -0.51 4.01 3.47 3k7lA1 GLY 412 HA3 -0.04 0.25 0.66 -0.51 4.01 4.37 3k7lA1 ASN 413 H 0.05 0.33 0.05 -0.55 8.53 8.42 3k7lA1 ASN 413 HA 0.22 0.22 0.61 -0.75 4.76 5.06 3k7lA1 ASN 413 HB2 0.30 0.07 0.14 -0.04 2.88 3.35 3k7lA1 ASN 413 HB3 0.17 -0.01 0.01 -0.04 2.79 2.91 3k7lA1 ASN 413 HD21 0.24 0.01 0.01 -0.04 7.03 7.25 3k7lA1 ASN 413 HD22 0.24 0.01 0.02 -0.04 7.74 7.97 3k7lA1 TYR 414 H -0.19 -0.16 -0.65 -0.55 8.29 6.73 3k7lA1 TYR 414 HA 0.04 0.08 0.12 -0.75 4.56 4.04 3k7lA1 TYR 414 HB2 0.09 0.23 -0.10 -0.04 3.06 3.24 3k7lA1 TYR 414 HB3 0.05 0.00 0.16 -0.04 2.98 3.15 3k7lA1 TYR 414 HD2 0.06 0.02 -0.27 -0.04 7.15 6.92 3k7lA1 TYR 414 HE2 0.05 0.01 -0.09 -0.04 6.85 6.78 3k7lA1 PHE 415 H 0.14 0.05 -0.51 -0.55 8.34 7.47 3k7lA1 PHE 415 HA -0.07 0.22 0.73 -0.75 4.62 4.74 3k7lA1 PHE 415 HB2 -0.91 0.11 -0.10 -0.04 3.15 2.21 3k7lA1 PHE 415 HB3 -0.24 -0.06 -0.12 -0.04 3.06 2.60 3k7lA1 PHE 415 HD2 -0.00 -0.02 -0.24 -0.04 7.28 6.98 3k7lA1 PHE 415 HE2 -0.15 -0.03 -0.15 -0.04 7.38 7.01 3k7lA1 PHE 415 HZ -0.11 0.33 -0.17 -0.04 7.32 7.33 3k7lA1 VAL 416 H -0.79 0.21 -0.04 -0.55 8.24 7.07 3k7lA1 VAL 416 HA -0.11 0.00 0.07 -0.75 4.13 3.33 3k7lA1 VAL 416 HB -0.40 0.02 0.04 -0.04 2.12 1.74 3k7lA1 VAL 416 HG13 -0.12 0.00 -0.43 -0.04 0.97 0.37 3k7lA1 VAL 416 HG23 -0.14 -0.04 -0.21 -0.04 0.95 0.52 3k7lA1 GLU 417 H -0.01 0.11 0.09 -0.55 8.60 8.24 3k7lA1 GLU 417 HA 0.04 0.28 1.03 -0.75 4.29 4.89 3k7lA1 GLU 417 HB2 0.06 -0.05 0.04 -0.04 2.09 2.09 3k7lA1 GLU 417 HB3 0.07 0.07 0.12 -0.04 1.99 2.21 3k7lA1 GLU 417 HG2 0.19 0.08 -0.06 -0.04 2.34 2.51 3k7lA1 GLU 417 HG3 0.41 0.04 -0.39 -0.04 2.34 2.36 3k7lA1 VAL 418 H 0.04 0.26 0.11 -0.55 8.24 8.10 3k7lA1 VAL 418 HA -0.01 -0.01 0.44 -0.75 4.13 3.80 3k7lA1 VAL 418 HB 0.01 0.05 0.14 -0.04 2.12 2.29 3k7lA1 VAL 418 HG13 0.00 -0.01 -0.12 -0.04 0.97 0.80 3k7lA1 VAL 418 HG23 0.01 0.05 -0.02 -0.04 0.95 0.95 3k7lA1 GLY 419 H -0.01 0.14 0.23 -0.55 8.43 8.24 3k7lA1 GLY 419 HA2 -0.01 -0.05 0.32 -0.51 4.01 3.76 3k7lA1 GLY 419 HA3 -0.00 0.12 0.57 -0.51 4.01 4.19 3k7lA1 GLU 420 H -0.02 0.46 0.02 -0.55 8.60 8.52 3k7lA1 GLU 420 HA -0.02 0.28 0.90 -0.75 4.29 4.70 3k7lA1 GLU 420 HB2 -0.04 -0.07 -0.07 -0.04 2.09 1.87 3k7lA1 GLU 420 HB3 -0.03 0.05 0.17 -0.04 1.99 2.14 3k7lA1 GLU 420 HG2 -0.01 0.08 -0.14 -0.04 2.34 2.23 3k7lA1 GLU 420 HG3 -0.00 0.08 -0.38 -0.04 2.34 2.00 3k7lA1 GLU 421 H -0.03 0.50 0.36 -0.55 8.60 8.88 3k7lA1 GLU 421 HA -0.04 0.21 0.89 -0.75 4.29 4.60 3k7lA1 GLU 421 HB2 -0.02 -0.16 0.04 -0.04 2.09 1.91 3k7lA1 GLU 421 HB3 -0.02 0.00 0.01 -0.04 1.99 1.94 3k7lA1 GLU 421 HG2 -0.02 0.05 -0.04 -0.04 2.34 2.29 3k7lA1 GLU 421 HG3 -0.02 0.04 -0.38 -0.04 2.34 1.94 3k7lA1 CYS 422 H -0.03 0.38 0.08 -0.55 8.50 8.38 3k7lA1 CYS 422 HA -0.05 0.14 0.26 -0.75 4.58 4.18 3k7lA1 CYS 422 HB2 -0.02 -0.08 -0.15 -0.04 2.97 2.68 3k7lA1 CYS 422 HB3 -0.02 0.12 -0.22 -0.04 2.97 2.81 3k7lA1 ASP 423 H -0.04 0.23 -0.19 -0.55 8.40 7.85 3k7lA1 ASP 423 HA -0.07 0.15 0.62 -0.75 4.63 4.58 3k7lA1 ASP 423 HB2 -0.04 0.15 -0.37 -0.04 2.71 2.41 3k7lA1 ASP 423 HB3 -0.03 -0.00 -0.32 -0.04 2.70 2.31 3k7lA1 CYS 424 H -0.10 0.21 -0.06 -0.55 8.50 7.99 3k7lA1 CYS 424 HA -0.06 0.31 0.85 -0.75 4.58 4.92 3k7lA1 CYS 424 HB2 0.01 0.04 0.12 -0.04 2.97 3.10 3k7lA1 CYS 424 HB3 -0.00 -0.05 -0.08 -0.04 2.97 2.80 3k7lA1 GLY 425 H -0.42 -0.09 -0.23 -0.55 8.43 7.14 3k7lA1 GLY 425 HA2 -0.62 0.22 0.29 -0.51 4.01 3.39 3k7lA1 GLY 425 HA3 -0.51 0.23 0.81 -0.51 4.01 4.03 3k7lA1 SER 426 H -0.07 0.16 0.16 -0.55 8.46 8.17 3k7lA1 SER 426 HA -0.03 0.19 0.48 -0.75 4.49 4.37 3k7lA1 SER 426 HB2 0.01 0.05 0.11 -0.04 3.95 4.07 3k7lA1 SER 426 HB3 0.02 0.11 0.17 -0.04 3.93 4.19 3k7lA1 PRO 427 HA -0.01 0.05 0.52 -0.51 4.44 4.48 3k7lA1 PRO 427 HB2 -0.00 0.06 0.01 -0.04 2.28 2.31 3k7lA1 PRO 427 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.06 3k7lA1 PRO 427 HG2 -0.01 0.06 0.06 -0.04 2.03 2.11 3k7lA1 PRO 427 HG3 -0.01 -0.03 -0.06 -0.04 2.03 1.89 3k7lA1 PRO 427 HD2 -0.01 0.08 0.22 -0.04 3.68 3.93 3k7lA1 PRO 427 HD3 -0.03 0.31 0.07 -0.04 3.65 3.97 3k7lA1 ALA 428 H 0.00 0.03 -0.34 -0.55 8.40 7.54 3k7lA1 ALA 428 HA 0.01 0.11 0.28 -0.75 4.34 3.98 3k7lA1 ALA 428 HB3 0.01 -0.01 0.03 -0.04 1.41 1.40 3k7lA1 ASP 429 H 0.02 0.12 -0.28 -0.55 8.40 7.71 3k7lA1 ASP 429 HA 0.04 0.13 0.59 -0.75 4.63 4.64 3k7lA1 ASP 429 HB2 0.05 -0.03 0.07 -0.04 2.71 2.76 3k7lA1 ASP 429 HB3 0.12 0.04 -0.06 -0.04 2.70 2.76 3k7lA1 CYS 430 H 0.00 0.33 -0.08 -0.55 8.50 8.21 3k7lA1 CYS 430 HA 0.03 0.09 0.33 -0.75 4.58 4.27 3k7lA1 CYS 430 HB2 -0.04 0.06 -0.25 -0.04 2.97 2.70 3k7lA1 CYS 430 HB3 -0.01 -0.02 0.01 -0.04 2.97 2.91 3k7lA1 GLN 431 H 0.04 0.15 0.05 -0.55 8.47 8.17 3k7lA1 GLN 431 HA 0.02 0.13 0.27 -0.75 4.36 4.03 3k7lA1 GLN 431 HB2 0.03 -0.04 0.26 -0.04 2.15 2.36 3k7lA1 GLN 431 HB3 0.02 -0.04 0.13 -0.04 2.02 2.09 3k7lA1 GLN 431 HG2 0.02 0.08 -0.07 -0.04 2.40 2.40 3k7lA1 GLN 431 HG3 0.03 0.19 -0.29 -0.04 2.39 2.28 3k7lA1 GLN 431 HE21 0.02 -0.04 0.01 -0.04 6.97 6.92 3k7lA1 GLN 431 HE22 0.02 -0.00 0.01 -0.04 7.69 7.68 3k7lA1 SER 432 H 0.01 0.26 0.06 -0.55 8.46 8.25 3k7lA1 SER 432 HA 0.02 0.21 0.84 -0.75 4.49 4.81 3k7lA1 SER 432 HB2 0.02 0.13 0.04 -0.04 3.95 4.10 3k7lA1 SER 432 HB3 0.01 0.04 0.13 -0.04 3.93 4.07 3k7lA1 ALA 433 H 0.01 0.22 0.07 -0.55 8.40 8.15 3k7lA1 ALA 433 HA 0.01 0.21 0.80 -0.75 4.34 4.60 3k7lA1 ALA 433 HB3 0.01 0.02 0.06 -0.04 1.41 1.45 3k7lA1 CYS 434 H 0.00 -0.05 -0.30 -0.55 8.50 7.60 3k7lA1 CYS 434 HA -0.01 0.29 0.62 -0.75 4.58 4.74 3k7lA1 CYS 434 HB2 -0.00 -0.10 0.03 -0.04 2.97 2.86 3k7lA1 CYS 434 HB3 -0.01 0.13 0.07 -0.04 2.97 3.11 3k7lA1 CYS 435 H -0.00 0.10 -0.15 -0.55 8.50 7.91 3k7lA1 CYS 435 HA -0.01 0.19 0.53 -0.75 4.58 4.53 3k7lA1 CYS 435 HB2 -0.01 -0.03 -0.26 -0.04 2.97 2.62 3k7lA1 CYS 435 HB3 -0.01 -0.02 -0.10 -0.04 2.97 2.80 3k7lA1 ASN 436 H -0.01 0.68 0.14 -0.55 8.53 8.79 3k7lA1 ASN 436 HA -0.01 0.14 0.80 -0.75 4.76 4.94 3k7lA1 ASN 436 HB2 -0.00 0.10 0.00 -0.04 2.88 2.94 3k7lA1 ASN 436 HB3 -0.01 0.04 0.16 -0.04 2.79 2.94 3k7lA1 ASN 436 HD21 -0.00 0.03 -0.01 -0.04 7.03 7.00 3k7lA1 ASN 436 HD22 0.00 0.07 -0.02 -0.04 7.74 7.76 3k7lA1 ALA 437 H -0.01 0.29 0.08 -0.55 8.40 8.20 3k7lA1 ALA 437 HA -0.04 -0.01 0.08 -0.75 4.34 3.61 3k7lA1 ALA 437 HB3 -0.03 0.07 -0.06 -0.04 1.41 1.34 3k7lA1 THR 438 H -0.01 0.03 -0.14 -0.55 8.28 7.60 3k7lA1 THR 438 HA -0.01 0.13 0.30 -0.75 4.39 4.05 3k7lA1 THR 438 HB -0.01 -0.04 0.05 -0.04 4.32 4.28 3k7lA1 THR 438 HG23 -0.01 0.02 -0.04 -0.04 1.22 1.16 3k7lA1 THR 439 H -0.01 0.01 -0.25 -0.55 8.28 7.48 3k7lA1 THR 439 HA -0.01 0.24 0.59 -0.75 4.39 4.45 3k7lA1 THR 439 HB -0.01 0.05 0.01 -0.04 4.32 4.33 3k7lA1 THR 439 HG23 -0.00 -0.00 -0.06 -0.04 1.22 1.11 3k7lA1 CYS 440 H -0.02 0.48 -0.07 -0.55 8.50 8.34 3k7lA1 CYS 440 HA -0.03 -0.02 0.26 -0.75 4.58 4.04 3k7lA1 CYS 440 HB2 -0.02 0.22 -0.48 -0.04 2.97 2.66 3k7lA1 CYS 440 HB3 -0.02 -0.14 0.33 -0.04 2.97 3.10 3k7lA1 LYS 441 H -0.01 0.07 -0.17 -0.55 8.42 7.76 3k7lA1 LYS 441 HA -0.02 0.10 0.78 -0.75 4.32 4.43 3k7lA1 LYS 441 HB2 -0.01 -0.06 -0.00 -0.04 1.87 1.76 3k7lA1 LYS 441 HB3 -0.01 0.07 0.07 -0.04 1.79 1.88 3k7lA1 LYS 441 HG2 -0.01 0.05 -0.23 -0.04 1.46 1.22 3k7lA1 LYS 441 HG3 -0.01 -0.02 -0.04 -0.04 1.46 1.35 3k7lA1 LYS 441 HD2 -0.01 -0.06 -0.01 -0.04 1.69 1.57 3k7lA1 LYS 441 HD3 -0.01 0.14 -0.09 -0.04 1.68 1.67 3k7lA1 LYS 441 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.91 3k7lA1 LYS 441 HE3 -0.01 0.10 0.01 -0.04 2.99 3.05 3k7lA1 LEU 442 H -0.02 0.14 -0.03 -0.55 8.37 7.91 3k7lA1 LEU 442 HA -0.02 0.00 0.67 -0.75 4.35 4.25 3k7lA1 LEU 442 HB2 -0.03 0.00 -0.00 -0.04 1.64 1.57 3k7lA1 LEU 442 HB3 -0.03 0.19 -0.07 -0.04 1.64 1.69 3k7lA1 LEU 442 HG -0.02 -0.16 -0.30 -0.04 1.64 1.12 3k7lA1 LEU 442 HD13 -0.01 0.02 -0.35 -0.04 0.93 0.54 3k7lA1 LEU 442 HD23 -0.01 -0.03 -0.34 -0.04 0.89 0.46 3k7lA1 GLN 443 H -0.01 0.99 0.32 -0.55 8.47 9.22 3k7lA1 GLN 443 HA 0.02 0.05 0.64 -0.75 4.36 4.31 3k7lA1 GLN 443 HB2 0.01 0.13 -0.04 -0.04 2.15 2.21 3k7lA1 GLN 443 HB3 0.03 -0.13 0.06 -0.04 2.02 1.93 3k7lA1 GLN 443 HG2 0.00 -0.11 -0.48 -0.04 2.40 1.77 3k7lA1 GLN 443 HG3 0.01 0.12 -0.53 -0.04 2.39 1.94 3k7lA1 GLN 443 HE21 0.00 -0.06 -0.09 -0.04 6.97 6.79 3k7lA1 GLN 443 HE22 0.00 0.11 -0.28 -0.04 7.69 7.48 3k7lA1 HIS 444 H 0.10 0.07 0.10 -0.55 8.41 8.14 3k7lA1 HIS 444 HA -0.02 -0.01 0.25 -0.75 4.63 4.10 3k7lA1 HIS 444 HB2 -0.01 -0.01 0.13 -0.04 3.26 3.32 3k7lA1 HIS 444 HB3 -0.01 0.01 0.13 -0.04 3.20 3.29 3k7lA1 HIS 444 HD2 -0.02 0.01 -0.12 -0.04 6.97 6.80 3k7lA1 HIS 444 HE1 -0.01 -0.00 -0.01 -0.04 7.75 7.68 3k7lA1 GLU 445 H -0.43 0.06 0.12 -0.55 8.60 7.81 3k7lA1 GLU 445 HA -0.25 -0.02 0.34 -0.75 4.29 3.61 3k7lA1 GLU 445 HB2 -0.18 0.17 0.00 -0.04 2.09 2.04 3k7lA1 GLU 445 HB3 -0.16 -0.01 0.17 -0.04 1.99 1.95 3k7lA1 GLU 445 HG2 -0.33 0.00 0.04 -0.04 2.34 2.01 3k7lA1 GLU 445 HG3 -1.22 -0.11 -0.15 -0.04 2.34 0.82 3k7lA1 ALA 446 H -0.09 0.71 -0.29 -0.55 8.40 8.19 3k7lA1 ALA 446 HA -0.09 0.23 0.68 -0.75 4.34 4.41 3k7lA1 ALA 446 HB3 -0.04 -0.03 0.12 -0.04 1.41 1.42 3k7lA1 GLN 447 H -0.11 0.61 0.34 -0.55 8.47 8.76 3k7lA1 GLN 447 HA -0.11 0.12 0.70 -0.75 4.36 4.32 3k7lA1 GLN 447 HB2 -0.41 -0.03 0.02 -0.04 2.15 1.69 3k7lA1 GLN 447 HB3 -0.53 -0.06 0.08 -0.04 2.02 1.47 3k7lA1 GLN 447 HG2 -0.27 0.18 0.07 -0.04 2.40 2.34 3k7lA1 GLN 447 HG3 -0.58 -0.06 0.06 -0.04 2.39 1.76 3k7lA1 GLN 447 HE21 -0.12 -0.03 -0.00 -0.04 6.97 6.77 3k7lA1 GLN 447 HE22 -0.37 -0.02 0.01 -0.04 7.69 7.27 3k7lA1 CYS 448 H -0.03 0.29 0.00 -0.55 8.50 8.21 3k7lA1 CYS 448 HA 0.03 0.09 0.49 -0.75 4.58 4.44 3k7lA1 CYS 448 HB2 0.10 -0.11 -0.11 -0.04 2.97 2.81 3k7lA1 CYS 448 HB3 0.22 0.34 -0.53 -0.04 2.97 2.95 3k7lA1 ASP 449 H 0.02 0.06 0.00 -0.55 8.40 7.93 3k7lA1 ASP 449 HA 0.01 0.14 0.87 -0.75 4.63 4.89 3k7lA1 ASP 449 HB2 -0.00 0.03 -0.29 -0.04 2.71 2.41 3k7lA1 ASP 449 HB3 0.00 -0.04 0.05 -0.04 2.70 2.67 3k7lA1 SER 450 H 0.01 0.04 0.13 -0.55 8.46 8.09 3k7lA1 SER 450 HA 0.03 0.31 0.69 -0.75 4.49 4.76 3k7lA1 SER 450 HB2 0.05 0.12 0.10 -0.04 3.95 4.18 3k7lA1 SER 450 HB3 0.04 -0.09 -0.11 -0.04 3.93 3.73 3k7lA1 GLU 451 H 0.02 -0.17 -0.06 -0.55 8.60 7.83 3k7lA1 GLU 451 HA 0.02 0.16 0.61 -0.75 4.29 4.32 3k7lA1 GLU 451 HB2 0.01 0.04 -0.05 -0.04 2.09 2.04 3k7lA1 GLU 451 HB3 -0.01 0.04 0.11 -0.04 1.99 2.09 3k7lA1 GLU 451 HG2 -0.04 0.06 -0.03 -0.04 2.34 2.28 3k7lA1 GLU 451 HG3 -0.02 -0.00 0.00 -0.04 2.34 2.28 3k7lA1 GLU 452 H 0.01 0.09 0.23 -0.55 8.60 8.39 3k7lA1 GLU 452 HA 0.01 0.13 0.35 -0.75 4.29 4.02 3k7lA1 GLU 452 HB2 0.01 -0.09 0.23 -0.04 2.09 2.20 3k7lA1 GLU 452 HB3 0.00 0.04 0.10 -0.04 1.99 2.08 3k7lA1 GLU 452 HG2 0.00 0.05 0.13 -0.04 2.34 2.48 3k7lA1 GLU 452 HG3 0.01 0.01 0.12 -0.04 2.34 2.44 3k7lA1 CYS 453 H -0.01 0.30 -0.31 -0.55 8.50 7.93 3k7lA1 CYS 453 HA 0.01 0.24 0.65 -0.75 4.58 4.72 3k7lA1 CYS 453 HB2 -0.06 -0.17 -0.39 -0.04 2.97 2.30 3k7lA1 CYS 453 HB3 -0.03 0.05 0.12 -0.04 2.97 3.07 3k7lA1 CYS 454 H 0.03 0.74 -0.41 -0.55 8.50 8.31 3k7lA1 CYS 454 HA 0.11 0.20 0.58 -0.75 4.58 4.72 3k7lA1 CYS 454 HB2 0.06 -0.18 -0.32 -0.04 2.97 2.50 3k7lA1 CYS 454 HB3 0.04 0.19 -0.28 -0.04 2.97 2.88 3k7lA1 GLU 455 H 0.05 0.93 0.11 -0.55 8.60 9.14 3k7lA1 GLU 455 HA 0.02 0.07 0.59 -0.75 4.29 4.21 3k7lA1 GLU 455 HB2 0.02 0.12 -0.23 -0.04 2.09 1.96 3k7lA1 GLU 455 HB3 0.02 0.03 -0.03 -0.04 1.99 1.97 3k7lA1 GLU 455 HG2 0.01 -0.04 -0.10 -0.04 2.34 2.17 3k7lA1 GLU 455 HG3 0.01 0.03 0.06 -0.04 2.34 2.40 3k7lA1 LYS 456 H 0.01 0.19 0.10 -0.55 8.42 8.16 3k7lA1 LYS 456 HA 0.00 -0.01 0.34 -0.75 4.32 3.89 3k7lA1 LYS 456 HB2 0.00 0.10 -0.21 -0.04 1.87 1.71 3k7lA1 LYS 456 HB3 -0.00 0.03 0.16 -0.04 1.79 1.94 3k7lA1 LYS 456 HG2 0.00 -0.01 0.06 -0.04 1.46 1.47 3k7lA1 LYS 456 HG3 0.01 -0.01 0.02 -0.04 1.46 1.44 3k7lA1 LYS 456 HD2 0.00 0.01 0.00 -0.04 1.69 1.66 3k7lA1 LYS 456 HD3 0.00 -0.00 -0.00 -0.04 1.68 1.64 3k7lA1 LYS 456 HE2 0.01 0.00 -0.04 -0.04 2.99 2.92 3k7lA1 LYS 456 HE3 0.00 0.04 -0.10 -0.04 2.99 2.89 3k7lA1 CYS 457 H 0.00 0.06 -0.12 -0.55 8.50 7.90 3k7lA1 CYS 457 HA -0.01 0.22 0.25 -0.75 4.58 4.30 3k7lA1 CYS 457 HB2 -0.04 0.13 0.20 -0.04 2.97 3.23 3k7lA1 CYS 457 HB3 -0.03 -0.07 0.27 -0.04 2.97 3.10 3k7lA1 LYS 458 H -0.00 0.49 -0.57 -0.55 8.42 7.79 3k7lA1 LYS 458 HA -0.16 0.08 0.84 -0.75 4.32 4.32 3k7lA1 LYS 458 HB2 -0.02 0.10 -0.05 -0.04 1.87 1.86 3k7lA1 LYS 458 HB3 -0.09 -0.01 0.06 -0.04 1.79 1.71 3k7lA1 LYS 458 HG2 -0.05 0.09 -0.08 -0.04 1.46 1.39 3k7lA1 LYS 458 HG3 -0.07 -0.07 -0.01 -0.04 1.46 1.27 3k7lA1 LYS 458 HD2 -0.15 0.05 0.16 -0.04 1.69 1.71 3k7lA1 LYS 458 HD3 -0.08 0.02 -0.14 -0.04 1.68 1.44 3k7lA1 LYS 458 HE2 -0.09 -0.08 0.02 -0.04 2.99 2.80 3k7lA1 LYS 458 HE3 -0.15 -0.03 0.07 -0.04 2.99 2.85 3k7lA1 PHE 459 H -0.26 0.07 0.04 -0.55 8.34 7.64 3k7lA1 PHE 459 HA -0.01 0.25 0.52 -0.75 4.62 4.62 3k7lA1 PHE 459 HB2 -0.01 -0.07 0.02 -0.04 3.15 3.04 3k7lA1 PHE 459 HB3 -0.01 0.22 -0.08 -0.04 3.06 3.15 3k7lA1 PHE 459 HD2 -0.02 0.13 -0.18 -0.04 7.28 7.17 3k7lA1 PHE 459 HE2 -0.02 0.05 -0.15 -0.04 7.38 7.22 3k7lA1 PHE 459 HZ -0.02 0.00 -0.02 -0.04 7.32 7.23 3k7lA1 LYS 460 H 0.09 0.32 -0.01 -0.55 8.42 8.27 3k7lA1 LYS 460 HA 0.05 0.03 0.58 -0.75 4.32 4.22 3k7lA1 LYS 460 HB2 0.02 0.03 -0.09 -0.04 1.87 1.80 3k7lA1 LYS 460 HB3 0.02 -0.06 0.04 -0.04 1.79 1.75 3k7lA1 LYS 460 HG2 0.04 -0.04 -0.22 -0.04 1.46 1.20 3k7lA1 LYS 460 HG3 0.03 -0.06 -0.29 -0.04 1.46 1.10 3k7lA1 LYS 460 HD2 0.01 -0.00 -0.10 -0.04 1.69 1.56 3k7lA1 LYS 460 HD3 0.02 -0.08 -0.05 -0.04 1.68 1.52 3k7lA1 LYS 460 HE2 0.02 0.02 -0.16 -0.04 2.99 2.83 3k7lA1 LYS 460 HE3 0.01 0.33 0.14 -0.04 2.99 3.43 3k7lA1 GLY 461 H 0.03 0.04 0.11 -0.55 8.43 8.07 3k7lA1 GLY 461 HA2 0.04 0.03 0.38 -0.51 4.01 3.95 3k7lA1 GLY 461 HA3 0.02 0.00 0.30 -0.51 4.01 3.82 3k7lA1 ALA 462 H 0.02 0.02 0.10 -0.55 8.40 7.99 3k7lA1 ALA 462 HA -0.01 0.24 0.03 -0.75 4.34 3.85 3k7lA1 ALA 462 HB3 -0.00 -0.04 0.10 -0.04 1.41 1.43 3k7lA1 ARG 463 H -0.01 0.34 0.08 -0.55 8.46 8.31 3k7lA1 ARG 463 HA -0.01 0.00 0.26 -0.75 4.34 3.84 3k7lA1 ARG 463 HB2 -0.00 -0.03 0.05 -0.04 1.90 1.88 3k7lA1 ARG 463 HB3 -0.00 -0.08 -0.22 -0.04 1.80 1.46 3k7lA1 ARG 463 HG2 0.00 0.64 -0.13 -0.04 1.67 2.14 3k7lA1 ARG 463 HG3 0.00 -0.07 -0.10 -0.04 1.67 1.46 3k7lA1 ARG 463 HD2 0.00 -0.05 -0.11 -0.04 3.22 3.01 3k7lA1 ARG 463 HD3 0.00 -0.03 -0.10 -0.04 3.22 3.05 3k7lA1 ALA 464 H 0.00 0.47 -0.54 -0.55 8.40 7.79 3k7lA1 ALA 464 HA 0.00 0.04 0.73 -0.75 4.34 4.36 3k7lA1 ALA 464 HB3 0.01 0.01 0.01 -0.04 1.41 1.40 3k7lA1 GLU 465 H 0.00 0.08 0.16 -0.55 8.60 8.30 3k7lA1 GLU 465 HA -0.01 0.10 0.25 -0.75 4.29 3.88 3k7lA1 GLU 465 HB2 0.00 -0.00 0.08 -0.04 2.09 2.13 3k7lA1 GLU 465 HB3 0.00 -0.03 0.01 -0.04 1.99 1.93 3k7lA1 GLU 465 HG2 0.00 0.00 -0.22 -0.04 2.34 2.08 3k7lA1 GLU 465 HG3 -0.00 0.03 -0.11 -0.04 2.34 2.21 3k7lA1 CYS 466 H -0.01 0.60 0.34 -0.55 8.50 8.89 3k7lA1 CYS 466 HA -0.00 0.19 0.84 -0.75 4.58 4.86 3k7lA1 CYS 466 HB2 -0.01 -0.04 -0.02 -0.04 2.97 2.87 3k7lA1 CYS 466 HB3 -0.01 0.04 -0.24 -0.04 2.97 2.72 3k7lA1 ARG 467 H -0.00 0.28 0.13 -0.55 8.46 8.32 3k7lA1 ARG 467 HA 0.02 0.13 0.64 -0.75 4.34 4.37 3k7lA1 ARG 467 HB2 0.00 0.02 -0.06 -0.04 1.90 1.83 3k7lA1 ARG 467 HB3 -0.00 -0.08 0.19 -0.04 1.80 1.87 3k7lA1 ARG 467 HG2 0.05 0.10 0.05 -0.04 1.67 1.82 3k7lA1 ARG 467 HG3 0.04 0.05 0.12 -0.04 1.67 1.84 3k7lA1 ARG 467 HD2 0.00 -0.05 0.03 -0.04 3.22 3.16 3k7lA1 ARG 467 HD3 0.06 0.02 0.03 -0.04 3.22 3.29 3k7lA1 ALA 468 H 0.02 0.15 -0.03 -0.55 8.40 8.00 3k7lA1 ALA 468 HA 0.01 -0.01 0.48 -0.75 4.34 4.07 3k7lA1 ALA 468 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 3k7lA1 ALA 469 H 0.02 0.06 0.09 -0.55 8.40 8.02 3k7lA1 ALA 469 HA 0.04 0.11 0.51 -0.75 4.34 4.24 3k7lA1 ALA 469 HB3 0.02 0.02 0.03 -0.04 1.41 1.43 3k7lA1 LYS 470 H 0.04 0.17 0.13 -0.55 8.42 8.20 3k7lA1 LYS 470 HA -0.01 0.18 0.59 -0.75 4.32 4.32 3k7lA1 LYS 470 HB2 -0.08 0.02 0.10 -0.04 1.87 1.87 3k7lA1 LYS 470 HB3 -0.03 0.06 -0.01 -0.04 1.79 1.78 3k7lA1 LYS 470 HG2 0.04 0.02 0.03 -0.04 1.46 1.51 3k7lA1 LYS 470 HG3 -0.01 -0.09 -0.11 -0.04 1.46 1.21 3k7lA1 LYS 470 HD2 -0.09 -0.03 -0.07 -0.04 1.69 1.46 3k7lA1 LYS 470 HD3 -0.13 0.04 -0.02 -0.04 1.68 1.53 3k7lA1 LYS 470 HE2 -0.07 0.08 -0.04 -0.04 2.99 2.92 3k7lA1 LYS 470 HE3 0.00 0.05 -0.03 -0.04 2.99 2.97 3k7lA1 ASP 471 H 0.01 0.19 -0.00 -0.55 8.40 8.04 3k7lA1 ASP 471 HA -0.02 0.09 0.24 -0.75 4.63 4.19 3k7lA1 ASP 471 HB2 -0.03 -0.14 0.11 -0.04 2.71 2.61 3k7lA1 ASP 471 HB3 -0.04 0.34 0.20 -0.04 2.70 3.16 3k7lA1 ASP 472 H -0.02 0.15 0.11 -0.55 8.40 8.10 3k7lA1 ASP 472 HA 0.00 0.18 0.04 -0.75 4.63 4.11 3k7lA1 ASP 472 HB2 -0.01 0.09 0.22 -0.04 2.71 2.97 3k7lA1 ASP 472 HB3 -0.01 0.01 0.14 -0.04 2.70 2.80 3k7lA1 CYS 473 H -0.01 0.18 -0.45 -0.55 8.50 7.66 3k7lA1 CYS 473 HA 0.01 0.24 0.90 -0.75 4.58 4.97 3k7lA1 CYS 473 HB2 -0.07 0.07 -0.37 -0.04 2.97 2.56 3k7lA1 CYS 473 HB3 -0.07 -0.11 -0.11 -0.04 2.97 2.63 3k7lA1 ASP 474 H 0.03 0.50 0.30 -0.55 8.40 8.68 3k7lA1 ASP 474 HA 0.27 0.14 0.91 -0.75 4.63 5.20 3k7lA1 ASP 474 HB2 0.07 -0.01 0.20 -0.04 2.71 2.93 3k7lA1 ASP 474 HB3 0.06 -0.12 0.19 -0.04 2.70 2.78 3k7lA1 LEU 475 H 0.10 0.33 0.27 -0.55 8.37 8.52 3k7lA1 LEU 475 HA 0.02 0.11 0.74 -0.75 4.35 4.48 3k7lA1 LEU 475 HB2 0.03 -0.17 -0.36 -0.04 1.64 1.10 3k7lA1 LEU 475 HB3 -0.02 0.12 -0.09 -0.04 1.64 1.61 3k7lA1 LEU 475 HG -0.01 0.15 -0.14 -0.04 1.64 1.59 3k7lA1 LEU 475 HD13 0.01 -0.03 -0.05 -0.04 0.93 0.82 3k7lA1 LEU 475 HD23 -0.02 0.01 -0.13 -0.04 0.89 0.71 3k7lA1 PRO 476 HA 0.00 0.28 0.33 -0.51 4.44 4.55 3k7lA1 PRO 476 HB2 -0.00 -0.02 -0.17 -0.04 2.28 2.05 3k7lA1 PRO 476 HB3 0.00 -0.00 0.04 -0.04 2.02 2.02 3k7lA1 PRO 476 HG2 0.00 0.01 0.04 -0.04 2.03 2.04 3k7lA1 PRO 476 HG3 0.01 -0.07 0.07 -0.04 2.03 2.00 3k7lA1 PRO 476 HD2 0.01 0.07 0.16 -0.04 3.68 3.87 3k7lA1 PRO 476 HD3 0.01 0.17 0.18 -0.04 3.65 3.98 3k7lA1 GLU 477 H -0.01 0.40 0.33 -0.55 8.60 8.78 3k7lA1 GLU 477 HA -0.03 0.15 0.83 -0.75 4.29 4.49 3k7lA1 GLU 477 HB2 -0.03 -0.06 0.11 -0.04 2.09 2.07 3k7lA1 GLU 477 HB3 -0.04 -0.02 -0.05 -0.04 1.99 1.84 3k7lA1 GLU 477 HG2 -0.06 0.35 -0.28 -0.04 2.34 2.30 3k7lA1 GLU 477 HG3 -0.06 -0.07 -0.06 -0.04 2.34 2.10 3k7lA1 LEU 478 H -0.03 0.29 0.17 -0.55 8.37 8.25 3k7lA1 LEU 478 HA -0.01 0.15 0.60 -0.75 4.35 4.33 3k7lA1 LEU 478 HB2 -0.02 -0.03 -0.04 -0.04 1.64 1.51 3k7lA1 LEU 478 HB3 -0.01 -0.06 -0.19 -0.04 1.64 1.34 3k7lA1 LEU 478 HG -0.01 -0.06 -0.64 -0.04 1.64 0.88 3k7lA1 LEU 478 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.78 3k7lA1 LEU 478 HD23 -0.00 0.06 -0.25 -0.04 0.89 0.65 3k7lA1 CYS 479 H -0.01 0.93 0.12 -0.55 8.50 8.98 3k7lA1 CYS 479 HA -0.04 0.03 0.27 -0.75 4.58 4.08 3k7lA1 CYS 479 HB2 -0.01 -0.04 -0.08 -0.04 2.97 2.80 3k7lA1 CYS 479 HB3 -0.03 0.26 -0.04 -0.04 2.97 3.12 3k7lA1 THR 480 H -0.08 0.18 0.19 -0.55 8.28 8.03 3k7lA1 THR 480 HA -0.04 0.09 0.88 -0.75 4.39 4.57 3k7lA1 THR 480 HB -0.12 -0.09 0.12 -0.04 4.32 4.19 3k7lA1 THR 480 HG23 -0.05 0.01 0.14 -0.04 1.22 1.28 3k7lA1 GLY 481 H -0.01 0.09 0.10 -0.55 8.43 8.06 3k7lA1 GLY 481 HA2 0.05 0.64 0.80 -0.51 4.01 4.99 3k7lA1 GLY 481 HA3 0.04 -0.10 0.37 -0.51 4.01 3.81 3k7lA1 GLN 482 H -0.09 -0.08 -0.32 -0.55 8.47 7.43 3k7lA1 GLN 482 HA 0.03 0.20 0.53 -0.75 4.36 4.36 3k7lA1 GLN 482 HB2 -0.08 -0.03 0.06 -0.04 2.15 2.06 3k7lA1 GLN 482 HB3 -0.06 0.02 0.09 -0.04 2.02 2.04 3k7lA1 GLN 482 HG2 -0.01 -0.13 -0.07 -0.04 2.40 2.15 3k7lA1 GLN 482 HG3 -0.02 0.01 0.02 -0.04 2.39 2.36 3k7lA1 GLN 482 HE21 0.02 0.00 0.02 -0.04 6.97 6.98 3k7lA1 GLN 482 HE22 -0.00 -0.01 0.04 -0.04 7.69 7.68 3k7lA1 SER 483 H -0.58 0.50 -0.13 -0.55 8.46 7.71 3k7lA1 SER 483 HA -1.13 0.12 0.55 -0.75 4.49 3.27 3k7lA1 SER 483 HB2 -0.26 0.05 0.12 -0.04 3.95 3.81 3k7lA1 SER 483 HB3 -0.25 -0.02 -0.47 -0.04 3.93 3.15 3k7lA1 ALA 484 H -0.33 0.13 0.09 -0.55 8.40 7.74 3k7lA1 ALA 484 HA -0.15 0.49 0.62 -0.75 4.34 4.55 3k7lA1 ALA 484 HB3 0.10 -0.02 -0.16 -0.04 1.41 1.29 3k7lA1 GLU 485 H -0.17 0.09 -0.18 -0.55 8.60 7.79 3k7lA1 GLU 485 HA -0.06 0.07 0.70 -0.75 4.29 4.25 3k7lA1 GLU 485 HB2 -0.09 -0.02 -0.11 -0.04 2.09 1.83 3k7lA1 GLU 485 HB3 -0.06 0.18 -0.06 -0.04 1.99 2.00 3k7lA1 GLU 485 HG2 -0.10 -0.18 -0.07 -0.04 2.34 1.95 3k7lA1 GLU 485 HG3 -0.08 0.04 -0.04 -0.04 2.34 2.23 3k7lA1 CYS 486 H -0.03 0.12 0.11 -0.55 8.50 8.15 3k7lA1 CYS 486 HA -0.04 0.10 0.47 -0.75 4.58 4.35 3k7lA1 CYS 486 HB2 -0.02 -0.07 0.03 -0.04 2.97 2.88 3k7lA1 CYS 486 HB3 -0.01 0.03 0.09 -0.04 2.97 3.04 3k7lA1 PRO 487 HA -0.06 -0.03 0.50 -0.51 4.44 4.34 3k7lA1 PRO 487 HB2 -0.06 0.05 -0.01 -0.04 2.28 2.22 3k7lA1 PRO 487 HB3 -0.06 -0.01 0.08 -0.04 2.02 1.99 3k7lA1 PRO 487 HG2 -0.05 0.07 0.11 -0.04 2.03 2.13 3k7lA1 PRO 487 HG3 -0.06 -0.03 0.08 -0.04 2.03 1.98 3k7lA1 PRO 487 HD2 -0.04 0.02 0.05 -0.04 3.68 3.66 3k7lA1 PRO 487 HD3 -0.06 0.26 0.20 -0.04 3.65 4.01 3k7lA1 THR 488 H -0.06 0.01 0.07 -0.55 8.28 7.75 3k7lA1 THR 488 HA -0.05 0.07 0.26 -0.75 4.39 3.92 3k7lA1 THR 488 HB -0.10 0.03 -0.28 -0.04 4.32 3.93 3k7lA1 THR 488 HG23 -0.07 0.01 -0.02 -0.04 1.22 1.11 3k7lA1 ASP 489 H -0.08 0.09 0.10 -0.55 8.40 7.96 3k7lA1 ASP 489 HA -0.13 0.09 0.28 -0.75 4.63 4.11 3k7lA1 ASP 489 HB2 -0.03 0.02 0.13 -0.04 2.71 2.78 3k7lA1 ASP 489 HB3 -0.12 -0.04 0.14 -0.04 2.70 2.64 3k7lA1 VAL 490 H -0.26 0.24 0.24 -0.55 8.24 7.91 3k7lA1 VAL 490 HA -0.94 0.19 0.54 -0.75 4.13 3.16 3k7lA1 VAL 490 HB -0.24 -0.10 0.14 -0.04 2.12 1.88 3k7lA1 VAL 490 HG13 -0.20 -0.01 -0.10 -0.04 0.97 0.62 3k7lA1 VAL 490 HG23 -0.14 0.03 -0.10 -0.04 0.95 0.70 3k7lA1 PHE 491 H -0.23 0.14 0.13 -0.55 8.34 7.82 3k7lA1 PHE 491 HA -0.03 -0.06 1.15 -0.75 4.62 4.93 3k7lA1 PHE 491 HB2 -0.06 0.01 0.03 -0.04 3.15 3.09 3k7lA1 PHE 491 HB3 -0.04 0.34 0.31 -0.04 3.06 3.63 3k7lA1 PHE 491 HD2 -0.05 -0.06 -0.11 -0.04 7.28 7.02 3k7lA1 PHE 491 HE2 -0.04 0.01 -0.09 -0.04 7.38 7.22 3k7lA1 PHE 491 HZ -0.03 0.02 -0.06 -0.04 7.32 7.21 3k7lA1 GLN 492 H 0.15 0.34 -0.03 -0.55 8.47 8.38 3k7lA1 GLN 492 HA 0.04 0.03 0.36 -0.75 4.36 4.03 3k7lA1 GLN 492 HB2 0.04 0.01 -0.02 -0.04 2.15 2.14 3k7lA1 GLN 492 HB3 0.03 -0.01 0.04 -0.04 2.02 2.04 3k7lA1 GLN 492 HG2 0.06 -0.10 -0.80 -0.04 2.40 1.51 3k7lA1 GLN 492 HG3 0.03 0.14 -0.31 -0.04 2.39 2.21 3k7lA1 GLN 492 HE21 0.02 -0.06 -0.01 -0.04 6.97 6.87 3k7lA1 GLN 492 HE22 0.02 0.18 -0.08 -0.04 7.69 7.77 3k7lA1 ARG 493 H 0.01 0.05 0.12 -0.55 8.46 8.09 3k7lA1 ARG 493 HA -0.01 0.07 0.42 -0.75 4.34 4.06 3k7lA1 ARG 493 HB2 -0.00 0.10 0.08 -0.04 1.90 2.03 3k7lA1 ARG 493 HB3 0.00 -0.01 0.13 -0.04 1.80 1.88 3k7lA1 ARG 493 HG2 0.02 -0.07 0.08 -0.04 1.67 1.65 3k7lA1 ARG 493 HG3 0.02 -0.02 -0.16 -0.04 1.67 1.46 3k7lA1 ARG 493 HD2 0.03 0.10 -0.03 -0.04 3.22 3.28 3k7lA1 ARG 493 HD3 0.02 -0.03 0.01 -0.04 3.22 3.19 3k7lA1 ASN 494 H -0.12 0.10 0.15 -0.55 8.53 8.11 3k7lA1 ASN 494 HA -0.27 0.06 0.57 -0.75 4.76 4.37 3k7lA1 ASN 494 HB2 -0.41 0.02 0.13 -0.04 2.88 2.57 3k7lA1 ASN 494 HB3 -1.84 0.07 0.03 -0.04 2.79 1.01 3k7lA1 ASN 494 HD21 -0.26 -0.03 0.08 -0.04 7.03 6.78 3k7lA1 ASN 494 HD22 -0.21 0.09 0.06 -0.04 7.74 7.64 3k7lA1 GLY 495 H -0.14 0.73 0.21 -0.55 8.43 8.68 3k7lA1 GLY 495 HA2 0.29 -0.00 0.23 -0.51 4.01 4.01 3k7lA1 GLY 495 HA3 0.24 0.05 0.46 -0.51 4.01 4.26 3k7lA1 LEU 496 H 0.05 0.35 -0.19 -0.55 8.37 8.04 3k7lA1 LEU 496 HA 0.10 0.05 0.47 -0.75 4.35 4.22 3k7lA1 LEU 496 HB2 0.04 0.09 0.14 -0.04 1.64 1.87 3k7lA1 LEU 496 HB3 0.04 0.01 -0.05 -0.04 1.64 1.60 3k7lA1 LEU 496 HG 0.03 -0.08 0.07 -0.04 1.64 1.61 3k7lA1 LEU 496 HD13 0.02 0.06 0.04 -0.04 0.93 1.00 3k7lA1 LEU 496 HD23 0.04 -0.00 0.09 -0.04 0.89 0.97 3k7lA1 PRO 497 HA -0.14 0.29 0.73 -0.51 4.44 4.81 3k7lA1 PRO 497 HB2 -0.00 -0.07 0.11 -0.04 2.28 2.27 3k7lA1 PRO 497 HB3 -0.08 0.02 0.18 -0.04 2.02 2.10 3k7lA1 PRO 497 HG2 0.08 -0.02 0.13 -0.04 2.03 2.18 3k7lA1 PRO 497 HG3 0.23 0.05 0.15 -0.04 2.03 2.42 3k7lA1 PRO 497 HD2 0.07 0.02 0.26 -0.04 3.68 4.00 3k7lA1 PRO 497 HD3 0.16 0.21 0.29 -0.04 3.65 4.27 3k7lA1 CYS 498 H -0.16 0.56 0.16 -0.55 8.50 8.51 3k7lA1 CYS 498 HA -0.04 0.14 0.62 -0.75 4.58 4.55 3k7lA1 CYS 498 HB2 -0.03 -0.13 -0.12 -0.04 2.97 2.65 3k7lA1 CYS 498 HB3 -0.01 0.20 -0.25 -0.04 2.97 2.87 3k7lA1 GLN 499 H -0.03 0.16 0.08 -0.55 8.47 8.13 3k7lA1 GLN 499 HA -0.03 0.04 0.36 -0.75 4.36 3.98 3k7lA1 GLN 499 HB2 -0.05 0.06 -0.26 -0.04 2.15 1.86 3k7lA1 GLN 499 HB3 -0.04 0.03 0.19 -0.04 2.02 2.16 3k7lA1 GLN 499 HG2 -0.03 -0.01 -0.08 -0.04 2.40 2.24 3k7lA1 GLN 499 HG3 -0.03 0.07 -0.00 -0.04 2.39 2.38 3k7lA1 GLN 499 HE21 -0.03 0.01 0.08 -0.04 6.97 6.99 3k7lA1 GLN 499 HE22 -0.03 -0.09 0.08 -0.04 7.69 7.61 3k7lA1 ASN 500 H -0.03 0.09 -0.10 -0.55 8.53 7.94 3k7lA1 ASN 500 HA -0.03 0.03 0.26 -0.75 4.76 4.26 3k7lA1 ASN 500 HB2 -0.03 0.09 -0.12 -0.04 2.88 2.77 3k7lA1 ASN 500 HB3 -0.03 0.03 0.20 -0.04 2.79 2.95 3k7lA1 ASN 500 HD21 -0.02 0.04 -0.00 -0.04 7.03 7.01 3k7lA1 ASN 500 HD22 -0.02 -0.05 -0.14 -0.04 7.74 7.48 3k7lA1 ASN 501 H -0.07 0.05 -0.44 -0.55 8.53 7.52 3k7lA1 ASN 501 HA -0.15 0.00 0.29 -0.75 4.76 4.15 3k7lA1 ASN 501 HB2 -0.05 -0.01 -0.39 -0.04 2.88 2.39 3k7lA1 ASN 501 HB3 -0.07 0.03 0.11 -0.04 2.79 2.82 3k7lA1 ASN 501 HD21 -0.02 -0.01 0.07 -0.04 7.03 7.04 3k7lA1 ASN 501 HD22 -0.11 0.03 0.13 -0.04 7.74 7.74 3k7lA1 GLN 502 H -0.08 0.38 -0.83 -0.55 8.47 7.38 3k7lA1 GLN 502 HA -0.08 0.01 0.57 -0.75 4.36 4.11 3k7lA1 GLN 502 HB2 -0.06 0.49 0.23 -0.04 2.15 2.76 3k7lA1 GLN 502 HB3 -0.05 -0.14 0.03 -0.04 2.02 1.82 3k7lA1 GLN 502 HG2 -0.04 -0.08 0.10 -0.04 2.40 2.35 3k7lA1 GLN 502 HG3 -0.04 0.09 0.09 -0.04 2.39 2.49 3k7lA1 GLN 502 HE21 -0.02 -0.09 0.02 -0.04 6.97 6.84 3k7lA1 GLN 502 HE22 -0.03 0.19 0.02 -0.04 7.69 7.83 3k7lA1 GLY 503 H -0.17 0.31 -0.09 -0.55 8.43 7.94 3k7lA1 GLY 503 HA2 -0.20 0.14 0.68 -0.51 4.01 4.12 3k7lA1 GLY 503 HA3 -0.09 0.08 0.28 -0.51 4.01 3.76 3k7lA1 TYR 504 H 0.09 0.35 0.18 -0.55 8.29 8.35 3k7lA1 TYR 504 HA 0.03 0.29 0.64 -0.75 4.56 4.78 3k7lA1 TYR 504 HB2 0.12 0.04 -0.00 -0.04 3.06 3.18 3k7lA1 TYR 504 HB3 0.12 -0.04 -0.10 -0.04 2.98 2.91 3k7lA1 TYR 504 HD2 0.04 0.21 -0.13 -0.04 7.15 7.23 3k7lA1 TYR 504 HE2 0.01 0.00 0.04 -0.04 6.85 6.86 3k7lA1 CYS 505 H 0.10 0.52 0.05 -0.55 8.50 8.62 3k7lA1 CYS 505 HA 0.03 0.22 0.35 -0.75 4.58 4.43 3k7lA1 CYS 505 HB2 -0.00 -0.02 0.12 -0.04 2.97 3.02 3k7lA1 CYS 505 HB3 -0.03 -0.07 -0.03 -0.04 2.97 2.80 3k7lA1 TYR 506 H 0.05 0.62 0.33 -0.55 8.29 8.74 3k7lA1 TYR 506 HA -0.21 0.01 0.60 -0.75 4.56 4.21 3k7lA1 TYR 506 HB2 0.03 0.13 0.06 -0.04 3.06 3.23 3k7lA1 TYR 506 HB3 -0.03 0.03 0.16 -0.04 2.98 3.10 3k7lA1 TYR 506 HD2 -0.00 -0.02 -0.01 -0.04 7.15 7.08 3k7lA1 TYR 506 HE2 0.07 -0.02 -0.04 -0.04 6.85 6.83 3k7lA1 ASN 507 H -0.37 0.13 0.07 -0.55 8.53 7.82 3k7lA1 ASN 507 HA -0.16 0.02 0.35 -0.75 4.76 4.22 3k7lA1 ASN 507 HB2 -0.42 0.12 0.06 -0.04 2.88 2.59 3k7lA1 ASN 507 HB3 -0.20 0.03 0.21 -0.04 2.79 2.79 3k7lA1 ASN 507 HD21 -0.29 0.02 0.05 -0.04 7.03 6.77 3k7lA1 ASN 507 HD22 -0.20 0.00 0.12 -0.04 7.74 7.62 3k7lA1 GLY 508 H -0.23 -0.01 -0.43 -0.55 8.43 7.21 3k7lA1 GLY 508 HA2 -0.39 0.12 0.20 -0.51 4.01 3.43 3k7lA1 GLY 508 HA3 -1.61 0.09 0.15 -0.51 4.01 2.13 3k7lA1 LYS 509 H -0.17 0.31 -0.07 -0.55 8.42 7.94 3k7lA1 LYS 509 HA -0.12 0.11 0.66 -0.75 4.32 4.22 3k7lA1 LYS 509 HB2 -0.04 0.17 -0.03 -0.04 1.87 1.92 3k7lA1 LYS 509 HB3 -0.03 -0.09 -0.12 -0.04 1.79 1.51 3k7lA1 LYS 509 HG2 -0.10 -0.02 -0.01 -0.04 1.46 1.29 3k7lA1 LYS 509 HG3 -0.19 0.10 -0.28 -0.04 1.46 1.06 3k7lA1 LYS 509 HD2 -0.03 0.02 -0.07 -0.04 1.69 1.57 3k7lA1 LYS 509 HD3 -0.03 -0.06 -0.06 -0.04 1.68 1.49 3k7lA1 LYS 509 HE2 -0.08 0.06 -0.04 -0.04 2.99 2.88 3k7lA1 LYS 509 HE3 -0.09 0.03 -0.03 -0.04 2.99 2.85 3k7lA1 CYS 510 H -0.04 0.20 -0.07 -0.55 8.50 8.05 3k7lA1 CYS 510 HA 0.01 0.25 0.64 -0.75 4.58 4.73 3k7lA1 CYS 510 HB2 -0.03 -0.06 -0.24 -0.04 2.97 2.60 3k7lA1 CYS 510 HB3 -0.03 -0.01 0.05 -0.04 2.97 2.95 3k7lA1 PRO 511 HA -0.01 0.00 0.36 -0.51 4.44 4.29 3k7lA1 PRO 511 HB2 -0.00 -0.03 -0.15 -0.04 2.28 2.06 3k7lA1 PRO 511 HB3 -0.01 0.03 -0.10 -0.04 2.02 1.90 3k7lA1 PRO 511 HG2 0.03 0.19 -0.13 -0.04 2.03 2.07 3k7lA1 PRO 511 HG3 0.05 0.02 -0.14 -0.04 2.03 1.92 3k7lA1 PRO 511 HD2 0.06 0.26 0.14 -0.04 3.68 4.09 3k7lA1 PRO 511 HD3 0.05 0.25 -0.30 -0.04 3.65 3.61 3k7lA1 ILE 512 H -0.01 0.22 0.19 -0.55 8.25 8.10 3k7lA1 ILE 512 HA -0.01 0.24 0.97 -0.75 4.18 4.63 3k7lA1 ILE 512 HB -0.02 -0.07 0.09 -0.04 1.89 1.86 3k7lA1 ILE 512 HG12 -0.04 0.10 -0.26 -0.04 1.49 1.25 3k7lA1 ILE 512 HG13 -0.03 0.08 -0.90 -0.04 1.21 0.33 3k7lA1 ILE 512 HG23 -0.01 -0.10 -0.05 -0.04 0.93 0.73 3k7lA1 ILE 512 HD13 -0.03 -0.01 -0.07 -0.04 0.88 0.72 3k7lA1 MET 513 H -0.00 0.29 0.21 -0.55 8.47 8.42 3k7lA1 MET 513 HA 0.02 0.09 0.31 -0.75 4.52 4.19 3k7lA1 MET 513 HB2 0.03 0.01 0.23 -0.04 2.15 2.38 3k7lA1 MET 513 HB3 0.10 0.01 0.11 -0.04 2.03 2.21 3k7lA1 MET 513 HG2 0.07 0.01 0.08 -0.04 2.63 2.75 3k7lA1 MET 513 HG3 0.01 0.01 0.12 -0.04 2.56 2.65 3k7lA1 MET 513 HE3 -0.12 0.02 0.10 -0.04 2.10 2.06 3k7lA1 THR 514 H 0.01 0.11 -0.18 -0.55 8.28 7.67 3k7lA1 THR 514 HA 0.02 -0.05 0.27 -0.75 4.39 3.88 3k7lA1 THR 514 HB 0.00 0.03 0.17 -0.04 4.32 4.47 3k7lA1 THR 514 HG23 0.00 0.04 0.07 -0.04 1.22 1.29 3k7lA1 ASN 515 H -0.01 0.07 -0.10 -0.55 8.53 7.94 3k7lA1 ASN 515 HA -0.01 0.04 0.48 -0.75 4.76 4.51 3k7lA1 ASN 515 HB2 -0.01 0.03 0.10 -0.04 2.88 2.95 3k7lA1 ASN 515 HB3 -0.02 0.07 0.05 -0.04 2.79 2.85 3k7lA1 ASN 515 HD21 -0.02 -0.02 0.02 -0.04 7.03 6.97 3k7lA1 ASN 515 HD22 -0.02 0.09 0.05 -0.04 7.74 7.81 3k7lA1 GLN 516 H -0.01 0.47 -0.13 -0.55 8.47 8.25 3k7lA1 GLN 516 HA -0.03 0.09 0.72 -0.75 4.36 4.40 3k7lA1 GLN 516 HB2 -0.03 0.03 0.02 -0.04 2.15 2.13 3k7lA1 GLN 516 HB3 -0.05 0.02 0.03 -0.04 2.02 1.98 3k7lA1 GLN 516 HG2 -0.02 0.04 0.00 -0.04 2.40 2.38 3k7lA1 GLN 516 HG3 -0.02 -0.02 0.00 -0.04 2.39 2.32 3k7lA1 GLN 516 HE21 -0.02 0.07 -0.11 -0.04 6.97 6.87 3k7lA1 GLN 516 HE22 -0.01 -0.16 -0.28 -0.04 7.69 7.20 3k7lA1 CYS 517 H -0.01 0.58 -0.09 -0.55 8.50 8.44 3k7lA1 CYS 517 HA -0.04 0.04 0.36 -0.75 4.58 4.19 3k7lA1 CYS 517 HB2 0.00 0.11 0.03 -0.04 2.97 3.08 3k7lA1 CYS 517 HB3 -0.01 -0.04 -0.21 -0.04 2.97 2.67 3k7lA1 ILE 518 H -0.01 0.49 -0.06 -0.55 8.25 8.12 3k7lA1 ILE 518 HA -0.00 0.23 0.17 -0.75 4.18 3.83 3k7lA1 ILE 518 HB -0.01 0.04 0.09 -0.04 1.89 1.97 3k7lA1 ILE 518 HG12 0.00 -0.15 0.07 -0.04 1.49 1.37 3k7lA1 ILE 518 HG13 0.00 0.09 0.01 -0.04 1.21 1.27 3k7lA1 ILE 518 HG23 -0.00 -0.01 -0.29 -0.04 0.93 0.59 3k7lA1 ILE 518 HD13 -0.00 -0.03 -0.02 -0.04 0.88 0.79 3k7lA1 ALA 519 H -0.01 0.43 -0.42 -0.55 8.40 7.85 3k7lA1 ALA 519 HA 0.00 0.03 0.44 -0.75 4.34 4.06 3k7lA1 ALA 519 HB3 -0.01 0.00 0.11 -0.04 1.41 1.48 3k7lA1 LEU 520 H -0.04 0.45 -0.01 -0.55 8.37 8.22 3k7lA1 LEU 520 HA 0.00 -0.03 0.46 -0.75 4.35 4.03 3k7lA1 LEU 520 HB2 -0.07 0.15 0.13 -0.04 1.64 1.80 3k7lA1 LEU 520 HB3 -0.09 -0.08 -0.09 -0.04 1.64 1.35 3k7lA1 LEU 520 HG -0.16 -0.01 0.06 -0.04 1.64 1.49 3k7lA1 LEU 520 HD13 -0.19 0.02 -0.07 -0.04 0.93 0.64 3k7lA1 LEU 520 HD23 -0.58 -0.05 0.01 -0.04 0.89 0.23 3k7lA1 ARG 521 H -0.01 0.42 -0.35 -0.55 8.46 7.97 3k7lA1 ARG 521 HA 0.02 0.08 0.56 -0.75 4.34 4.23 3k7lA1 ARG 521 HB2 -0.00 0.12 -0.12 -0.04 1.90 1.86 3k7lA1 ARG 521 HB3 0.00 -0.08 -0.04 -0.04 1.80 1.64 3k7lA1 ARG 521 HG2 -0.02 -0.03 -0.26 -0.04 1.67 1.32 3k7lA1 ARG 521 HG3 -0.01 -0.11 -0.17 -0.04 1.67 1.33 3k7lA1 ARG 521 HD2 0.01 -0.04 -0.07 -0.04 3.22 3.08 3k7lA1 ARG 521 HD3 0.02 0.15 -0.19 -0.04 3.22 3.16 3k7lA1 GLY 522 H 0.01 0.46 -0.08 -0.55 8.43 8.28 3k7lA1 GLY 522 HA2 0.01 0.03 0.40 -0.51 4.01 3.94 3k7lA1 GLY 522 HA3 0.01 0.09 0.75 -0.51 4.01 4.36 3k7lA1 PRO 523 HA 0.00 -0.03 0.55 -0.51 4.44 4.45 3k7lA1 PRO 523 HB2 0.00 0.01 0.02 -0.04 2.28 2.27 3k7lA1 PRO 523 HB3 0.00 -0.02 0.13 -0.04 2.02 2.08 3k7lA1 PRO 523 HG2 0.01 0.02 0.08 -0.04 2.03 2.09 3k7lA1 PRO 523 HG3 0.00 0.05 0.07 -0.04 2.03 2.10 3k7lA1 PRO 523 HD2 0.01 0.08 0.21 -0.04 3.68 3.94 3k7lA1 PRO 523 HD3 0.01 0.16 0.20 -0.04 3.65 3.98 3k7lA1 GLY 524 H 0.00 0.06 0.22 -0.55 8.43 8.17 3k7lA1 GLY 524 HA2 0.00 -0.05 0.29 -0.51 4.01 3.74 3k7lA1 GLY 524 HA3 0.01 0.19 0.77 -0.51 4.01 4.47 3k7lA1 VAL 525 H 0.00 0.05 0.17 -0.55 8.24 7.92 3k7lA1 VAL 525 HA 0.01 0.25 0.81 -0.75 4.13 4.44 3k7lA1 VAL 525 HB 0.01 0.09 -0.41 -0.04 2.12 1.77 3k7lA1 VAL 525 HG13 0.00 -0.00 -0.38 -0.04 0.97 0.55 3k7lA1 VAL 525 HG23 0.01 -0.01 -0.20 -0.04 0.95 0.71 3k7lA1 LYS 526 H 0.01 0.47 0.28 -0.55 8.42 8.63 3k7lA1 LYS 526 HA 0.02 0.05 0.54 -0.75 4.32 4.18 3k7lA1 LYS 526 HB2 0.02 -0.10 0.18 -0.04 1.87 1.92 3k7lA1 LYS 526 HB3 0.01 0.08 -0.21 -0.04 1.79 1.63 3k7lA1 LYS 526 HG2 0.02 0.04 -0.04 -0.04 1.46 1.44 3k7lA1 LYS 526 HG3 0.03 0.08 -0.11 -0.04 1.46 1.41 3k7lA1 LYS 526 HD2 0.01 -0.01 -0.18 -0.04 1.69 1.47 3k7lA1 LYS 526 HD3 0.01 0.03 -0.10 -0.04 1.68 1.57 3k7lA1 LYS 526 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 3k7lA1 LYS 526 HE3 0.01 -0.03 -0.05 -0.04 2.99 2.87 3k7lA1 VAL 527 H 0.04 0.00 0.13 -0.55 8.24 7.86 3k7lA1 VAL 527 HA 0.08 0.11 0.51 -0.75 4.13 4.08 3k7lA1 VAL 527 HB 0.08 -0.18 0.02 -0.04 2.12 2.00 3k7lA1 VAL 527 HG13 0.07 0.00 -0.01 -0.04 0.97 0.99 3k7lA1 VAL 527 HG23 0.29 0.10 0.09 -0.04 0.95 1.38 3k7lA1 SER 528 H 0.11 0.59 0.28 -0.55 8.46 8.89 3k7lA1 SER 528 HA 0.07 0.09 0.62 -0.75 4.49 4.52 3k7lA1 SER 528 HB2 0.03 0.04 -0.10 -0.04 3.95 3.88 3k7lA1 SER 528 HB3 0.02 -0.07 0.00 -0.04 3.93 3.84 3k7lA1 ARG 529 H 0.06 0.10 0.10 -0.55 8.46 8.17 3k7lA1 ARG 529 HA 0.08 0.12 0.40 -0.75 4.34 4.19 3k7lA1 ARG 529 HB2 0.04 -0.03 0.14 -0.04 1.90 2.01 3k7lA1 ARG 529 HB3 0.03 0.10 0.14 -0.04 1.80 2.03 3k7lA1 ARG 529 HG2 0.02 -0.01 -0.06 -0.04 1.67 1.59 3k7lA1 ARG 529 HG3 0.03 -0.22 -0.20 -0.04 1.67 1.24 3k7lA1 ARG 529 HD2 0.01 -0.01 0.01 -0.04 3.22 3.18 3k7lA1 ARG 529 HD3 0.01 0.09 0.03 -0.04 3.22 3.30 3k7lA1 ASP 530 H 0.07 0.14 0.16 -0.55 8.40 8.22 3k7lA1 ASP 530 HA 0.19 0.20 0.31 -0.75 4.63 4.57 3k7lA1 ASP 530 HB2 0.03 -0.06 0.14 -0.04 2.71 2.77 3k7lA1 ASP 530 HB3 0.02 0.04 -0.01 -0.04 2.70 2.71 3k7lA1 SER 531 H 0.05 0.08 -0.08 -0.55 8.46 7.95 3k7lA1 SER 531 HA 0.01 0.05 0.36 -0.75 4.49 4.16 3k7lA1 SER 531 HB2 -0.03 0.07 -0.15 -0.04 3.95 3.80 3k7lA1 SER 531 HB3 -0.02 0.03 0.07 -0.04 3.93 3.98 3k7lA1 CYS 532 H 0.04 0.41 -0.69 -0.55 8.50 7.72 3k7lA1 CYS 532 HA -0.30 0.06 0.34 -0.75 4.58 3.93 3k7lA1 CYS 532 HB2 -0.19 0.25 0.01 -0.04 2.97 3.00 3k7lA1 CYS 532 HB3 -0.68 0.01 -0.05 -0.04 2.97 2.21 3k7lA1 PHE 533 H 0.23 0.48 -0.09 -0.55 8.34 8.42 3k7lA1 PHE 533 HA -0.04 0.14 0.34 -0.75 4.62 4.30 3k7lA1 PHE 533 HB2 0.01 0.14 0.11 -0.04 3.15 3.37 3k7lA1 PHE 533 HB3 0.07 0.05 -0.09 -0.04 3.06 3.04 3k7lA1 PHE 533 HD2 0.10 0.15 0.10 -0.04 7.28 7.58 3k7lA1 PHE 533 HE2 0.08 0.14 -0.02 -0.04 7.38 7.54 3k7lA1 PHE 533 HZ 0.08 -0.03 0.11 -0.04 7.32 7.43 3k7lA1 THR 534 H 0.01 0.20 -0.41 -0.55 8.28 7.53 3k7lA1 THR 534 HA 0.03 0.02 0.37 -0.75 4.39 4.06 3k7lA1 THR 534 HB -0.06 0.18 -0.00 -0.04 4.32 4.39 3k7lA1 THR 534 HG23 -0.02 -0.02 -0.10 -0.04 1.22 1.04 3k7lA1 LEU 535 H -0.26 0.51 -0.44 -0.55 8.37 7.64 3k7lA1 LEU 535 HA -0.06 -0.02 0.31 -0.75 4.35 3.83 3k7lA1 LEU 535 HB2 -0.33 0.12 0.08 -0.04 1.64 1.46 3k7lA1 LEU 535 HB3 -0.05 -0.08 0.08 -0.04 1.64 1.56 3k7lA1 LEU 535 HG -0.42 0.24 0.15 -0.04 1.64 1.56 3k7lA1 LEU 535 HD13 -0.35 -0.03 0.05 -0.04 0.93 0.56 3k7lA1 LEU 535 HD23 -0.11 -0.04 -0.01 -0.04 0.89 0.68 3k7lA1 ASN 536 H 0.08 0.52 -0.25 -0.55 8.53 8.34 3k7lA1 ASN 536 HA 0.12 -0.05 0.48 -0.75 4.76 4.55 3k7lA1 ASN 536 HB2 0.17 0.31 0.22 -0.04 2.88 3.55 3k7lA1 ASN 536 HB3 0.12 -0.11 0.14 -0.04 2.79 2.89 3k7lA1 ASN 536 HD21 0.33 0.41 0.14 -0.04 7.03 7.88 3k7lA1 ASN 536 HD22 0.41 0.26 0.27 -0.04 7.74 8.64 3k7lA1 GLN 537 H 0.03 0.62 -0.46 -0.55 8.47 8.11 3k7lA1 GLN 537 HA 0.03 0.25 0.61 -0.75 4.36 4.50 3k7lA1 GLN 537 HB2 0.01 0.05 0.12 -0.04 2.15 2.29 3k7lA1 GLN 537 HB3 0.01 -0.11 0.12 -0.04 2.02 2.00 3k7lA1 GLN 537 HG2 0.03 0.06 -0.09 -0.04 2.40 2.37 3k7lA1 GLN 537 HG3 0.02 0.07 0.13 -0.04 2.39 2.57 3k7lA1 GLN 537 HE21 0.01 -0.07 0.04 -0.04 6.97 6.91 3k7lA1 GLN 537 HE22 0.01 0.01 0.05 -0.04 7.69 7.73 3k7lA1 ARG 538 H 0.03 0.58 -0.12 -0.55 8.46 8.40 3k7lA1 ARG 538 HA 0.02 0.15 0.79 -0.75 4.34 4.54 3k7lA1 ARG 538 HB2 0.01 -0.05 -0.03 -0.04 1.90 1.79 3k7lA1 ARG 538 HB3 0.01 -0.06 0.10 -0.04 1.80 1.81 3k7lA1 ARG 538 HG2 0.01 0.04 -0.07 -0.04 1.67 1.61 3k7lA1 ARG 538 HG3 0.00 -0.04 -0.03 -0.04 1.67 1.57 3k7lA1 ARG 538 HD2 0.00 -0.04 -0.06 -0.04 3.22 3.08 3k7lA1 ARG 538 HD3 0.01 0.15 -0.23 -0.04 3.22 3.10 3k7lA1 THR 539 H 0.02 0.04 0.08 -0.55 8.28 7.87 3k7lA1 THR 539 HA 0.03 0.44 0.39 -0.75 4.39 4.49 3k7lA1 THR 539 HB 0.02 -0.07 -0.02 -0.04 4.32 4.21 3k7lA1 THR 539 HG23 0.02 -0.00 -0.06 -0.04 1.22 1.13 3k7lA1 ARG 540 H 0.02 -0.02 -0.08 -0.55 8.46 7.83 3k7lA1 ARG 540 HA 0.02 0.17 0.70 -0.75 4.34 4.48 3k7lA1 ARG 540 HB2 0.01 -0.01 0.00 -0.04 1.90 1.87 3k7lA1 ARG 540 HB3 0.01 -0.01 0.11 -0.04 1.80 1.87 3k7lA1 ARG 540 HG2 0.01 -0.10 0.03 -0.04 1.67 1.58 3k7lA1 ARG 540 HG3 0.01 0.01 0.01 -0.04 1.67 1.65 3k7lA1 ARG 540 HD2 0.01 0.07 -0.20 -0.04 3.22 3.06 3k7lA1 ARG 540 HD3 0.01 -0.01 -0.04 -0.04 3.22 3.13 3k7lA1 GLY 541 H 0.02 0.07 0.10 -0.55 8.43 8.08 3k7lA1 GLY 541 HA2 0.03 0.01 0.29 -0.51 4.01 3.83 3k7lA1 GLY 541 HA3 0.04 -0.03 0.43 -0.51 4.01 3.93 3k7lA1 CYS 542 H 0.10 0.07 0.12 -0.55 8.50 8.23 3k7lA1 CYS 542 HA 0.03 0.10 0.42 -0.75 4.58 4.39 3k7lA1 CYS 542 HB2 0.35 -0.04 -0.06 -0.04 2.97 3.19 3k7lA1 CYS 542 HB3 -0.03 0.06 -0.15 -0.04 2.97 2.80 3k7lA1 GLY 543 H 0.10 0.12 -0.28 -0.55 8.43 7.83 3k7lA1 GLY 543 HA2 0.17 -0.15 0.08 -0.51 4.01 3.60 3k7lA1 GLY 543 HA3 0.08 0.27 0.17 -0.51 4.01 4.02 3k7lA1 LEU 544 H 0.09 0.09 0.22 -0.55 8.37 8.22 3k7lA1 LEU 544 HA 0.04 -0.02 0.27 -0.75 4.35 3.88 3k7lA1 LEU 544 HB2 0.02 0.22 -0.29 -0.04 1.64 1.54 3k7lA1 LEU 544 HB3 0.01 -0.01 -0.11 -0.04 1.64 1.49 3k7lA1 LEU 544 HG 0.02 0.06 -0.02 -0.04 1.64 1.66 3k7lA1 LEU 544 HD13 0.01 0.01 -0.21 -0.04 0.93 0.71 3k7lA1 LEU 544 HD23 0.03 -0.04 -0.03 -0.04 0.89 0.81 3k7lA1 CYS 545 H 0.03 0.38 0.13 -0.55 8.50 8.49 3k7lA1 CYS 545 HA 0.03 0.10 0.54 -0.75 4.58 4.49 3k7lA1 CYS 545 HB2 0.03 0.03 -0.45 -0.04 2.97 2.54 3k7lA1 CYS 545 HB3 0.02 0.04 -0.01 -0.04 2.97 2.97 3k7lA1 ARG 546 H 0.02 0.47 0.28 -0.55 8.46 8.68 3k7lA1 ARG 546 HA 0.02 0.15 0.83 -0.75 4.34 4.59 3k7lA1 ARG 546 HB2 0.02 0.01 -0.18 -0.04 1.90 1.70 3k7lA1 ARG 546 HB3 0.02 -0.07 -0.18 -0.04 1.80 1.52 3k7lA1 ARG 546 HG2 0.02 0.09 -0.12 -0.04 1.67 1.62 3k7lA1 ARG 546 HG3 0.01 0.04 -0.07 -0.04 1.67 1.60 3k7lA1 ARG 546 HD2 0.01 -0.08 -0.08 -0.04 3.22 3.04 3k7lA1 ARG 546 HD3 0.01 0.06 -0.09 -0.04 3.22 3.16 3k7lA1 MET 547 H 0.02 0.17 0.11 -0.55 8.47 8.22 3k7lA1 MET 547 HA 0.04 0.38 0.84 -0.75 4.52 5.03 3k7lA1 MET 547 HB2 0.02 -0.02 0.15 -0.04 2.15 2.26 3k7lA1 MET 547 HB3 0.03 -0.12 -0.00 -0.04 2.03 1.90 3k7lA1 MET 547 HG2 0.02 0.02 -0.04 -0.04 2.63 2.59 3k7lA1 MET 547 HG3 0.02 -0.02 -0.01 -0.04 2.56 2.52 3k7lA1 MET 547 HE3 0.03 -0.02 -0.11 -0.04 2.10 1.96 3k7lA1 GLU 548 H 0.06 0.51 -0.02 -0.55 8.60 8.61 3k7lA1 GLU 548 HA 0.06 0.10 0.53 -0.75 4.29 4.22 3k7lA1 GLU 548 HB2 0.04 0.07 -0.03 -0.04 2.09 2.12 3k7lA1 GLU 548 HB3 0.05 0.01 0.08 -0.04 1.99 2.09 3k7lA1 GLU 548 HG2 0.06 -0.02 0.01 -0.04 2.34 2.35 3k7lA1 GLU 548 HG3 0.04 0.02 -0.01 -0.04 2.34 2.35 3k7lA1 TYR 549 H 0.08 0.20 0.04 -0.55 8.29 8.06 3k7lA1 TYR 549 HA 0.00 0.05 0.30 -0.75 4.56 4.16 3k7lA1 TYR 549 HB2 0.00 -0.03 -0.23 -0.04 3.06 2.76 3k7lA1 TYR 549 HB3 0.00 0.27 0.42 -0.04 2.98 3.64 3k7lA1 TYR 549 HD2 0.00 -0.00 -0.04 -0.04 7.15 7.07 3k7lA1 TYR 549 HE2 0.00 -0.01 0.01 -0.04 6.85 6.82 3k7lA1 GLY 550 H 0.06 0.05 -0.23 -0.55 8.43 7.76 3k7lA1 GLY 550 HA2 0.03 0.03 0.26 -0.51 4.01 3.82 3k7lA1 GLY 550 HA3 0.01 0.12 0.64 -0.51 4.01 4.27 3k7lA1 ARG 551 H 0.20 0.18 -0.52 -0.55 8.46 7.77 3k7lA1 ARG 551 HA 0.09 0.13 0.80 -0.75 4.34 4.61 3k7lA1 ARG 551 HB2 0.06 0.17 0.11 -0.04 1.90 2.20 3k7lA1 ARG 551 HB3 0.02 0.05 0.08 -0.04 1.80 1.91 3k7lA1 ARG 551 HG2 0.20 0.02 -0.07 -0.04 1.67 1.78 3k7lA1 ARG 551 HG3 -0.14 -0.04 0.01 -0.04 1.67 1.47 3k7lA1 ARG 551 HD2 0.05 -0.01 0.05 -0.04 3.22 3.27 3k7lA1 ARG 551 HD3 0.18 0.07 -0.16 -0.04 3.22 3.27 3k7lA1 LYS 552 H 0.04 0.09 0.13 -0.55 8.42 8.12 3k7lA1 LYS 552 HA 0.03 0.20 0.86 -0.75 4.32 4.66 3k7lA1 LYS 552 HB2 0.02 -0.08 0.13 -0.04 1.87 1.91 3k7lA1 LYS 552 HB3 0.02 0.04 -0.01 -0.04 1.79 1.80 3k7lA1 LYS 552 HG2 0.03 0.03 -0.01 -0.04 1.46 1.46 3k7lA1 LYS 552 HG3 0.03 -0.05 -0.01 -0.04 1.46 1.38 3k7lA1 LYS 552 HD2 0.02 -0.03 0.04 -0.04 1.69 1.69 3k7lA1 LYS 552 HD3 0.02 0.13 0.02 -0.04 1.68 1.82 3k7lA1 LYS 552 HE2 0.02 -0.04 -0.04 -0.04 2.99 2.89 3k7lA1 LYS 552 HE3 0.02 -0.10 -0.02 -0.04 2.99 2.85 3k7lA1 ILE 553 H 0.02 0.28 0.15 -0.55 8.25 8.16 3k7lA1 ILE 553 HA 0.01 0.17 0.99 -0.75 4.18 4.61 3k7lA1 ILE 553 HB 0.02 0.12 0.13 -0.04 1.89 2.12 3k7lA1 ILE 553 HG12 0.01 0.01 -0.08 -0.04 1.49 1.38 3k7lA1 ILE 553 HG13 0.02 -0.02 -0.77 -0.04 1.21 0.40 3k7lA1 ILE 553 HG23 0.01 0.03 -0.10 -0.04 0.93 0.82 3k7lA1 ILE 553 HD13 0.02 -0.03 -0.09 -0.04 0.88 0.74 3k7lA1 PRO 554 HA 0.03 0.11 0.16 -0.51 4.44 4.23 3k7lA1 PRO 554 HB2 0.02 0.05 -0.21 -0.04 2.28 2.10 3k7lA1 PRO 554 HB3 0.02 0.16 -0.10 -0.04 2.02 2.06 3k7lA1 PRO 554 HG2 0.01 -0.04 0.00 -0.04 2.03 1.96 3k7lA1 PRO 554 HG3 0.01 0.00 0.04 -0.04 2.03 2.04 3k7lA1 PRO 554 HD2 0.01 0.13 0.28 -0.04 3.68 4.06 3k7lA1 PRO 554 HD3 0.01 0.09 -0.03 -0.04 3.65 3.68 3k7lA1 CYS 555 H 0.04 0.70 0.12 -0.55 8.50 8.82 3k7lA1 CYS 555 HA 0.02 0.11 0.90 -0.75 4.58 4.86 3k7lA1 CYS 555 HB2 0.06 -0.04 -0.20 -0.04 2.97 2.75 3k7lA1 CYS 555 HB3 0.04 -0.10 -0.26 -0.04 2.97 2.60 3k7lA1 ALA 556 H 0.01 0.15 0.05 -0.55 8.40 8.07 3k7lA1 ALA 556 HA 0.01 0.11 0.56 -0.75 4.34 4.26 3k7lA1 ALA 556 HB3 0.00 0.00 0.10 -0.04 1.41 1.47 3k7lA1 ALA 557 H 0.01 0.15 0.15 -0.55 8.40 8.16 3k7lA1 ALA 557 HA 0.02 0.15 0.37 -0.75 4.34 4.12 3k7lA1 ALA 557 HB3 0.00 0.01 0.09 -0.04 1.41 1.47 3k7lA1 LYS 558 H -0.00 0.05 -0.25 -0.55 8.42 7.67 3k7lA1 LYS 558 HA -0.01 0.10 0.42 -0.75 4.32 4.08 3k7lA1 LYS 558 HB2 -0.02 0.07 0.07 -0.04 1.87 1.95 3k7lA1 LYS 558 HB3 -0.01 -0.02 0.06 -0.04 1.79 1.78 3k7lA1 LYS 558 HG2 -0.01 -0.09 -0.01 -0.04 1.46 1.31 3k7lA1 LYS 558 HG3 -0.01 0.04 -0.20 -0.04 1.46 1.25 3k7lA1 LYS 558 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.61 3k7lA1 LYS 558 HD3 -0.02 0.09 -0.06 -0.04 1.68 1.65 3k7lA1 LYS 558 HE2 -0.01 -0.04 0.00 -0.04 2.99 2.90 3k7lA1 LYS 558 HE3 -0.01 0.00 -0.00 -0.04 2.99 2.94 3k7lA1 ASP 559 H 0.01 0.42 -0.53 -0.55 8.40 7.75 3k7lA1 ASP 559 HA -0.01 0.09 0.74 -0.75 4.63 4.69 3k7lA1 ASP 559 HB2 0.01 0.09 -0.01 -0.04 2.71 2.77 3k7lA1 ASP 559 HB3 0.01 0.12 0.08 -0.04 2.70 2.87 3k7lA1 VAL 560 H 0.02 0.33 -0.21 -0.55 8.24 7.83 3k7lA1 VAL 560 HA 0.10 0.07 0.23 -0.75 4.13 3.77 3k7lA1 VAL 560 HB 0.16 0.10 -0.16 -0.04 2.12 2.19 3k7lA1 VAL 560 HG13 0.05 0.02 -0.03 -0.04 0.97 0.97 3k7lA1 VAL 560 HG23 0.03 0.01 -0.11 -0.04 0.95 0.85 3k7lA1 LYS 561 H -0.03 0.07 -0.51 -0.55 8.42 7.40 3k7lA1 LYS 561 HA -0.18 0.11 0.58 -0.75 4.32 4.08 3k7lA1 LYS 561 HB2 -0.11 0.01 -0.07 -0.04 1.87 1.66 3k7lA1 LYS 561 HB3 -0.22 0.02 0.11 -0.04 1.79 1.66 3k7lA1 LYS 561 HG2 -0.21 -0.08 -0.05 -0.04 1.46 1.08 3k7lA1 LYS 561 HG3 -0.19 0.11 0.02 -0.04 1.46 1.37 3k7lA1 LYS 561 HD2 -0.53 0.02 0.04 -0.04 1.69 1.19 3k7lA1 LYS 561 HD3 -1.24 0.03 0.01 -0.04 1.68 0.43 3k7lA1 LYS 561 HE2 -0.46 -0.04 0.00 -0.04 2.99 2.44 3k7lA1 LYS 561 HE3 -0.23 -0.02 -0.01 -0.04 2.99 2.69 3k7lA1 CYS 562 H 0.04 0.65 -0.23 -0.55 8.50 8.41 3k7lA1 CYS 562 HA 0.01 0.19 0.89 -0.75 4.58 4.92 3k7lA1 CYS 562 HB2 -0.00 0.10 -0.27 -0.04 2.97 2.76 3k7lA1 CYS 562 HB3 -0.01 -0.11 -0.06 -0.04 2.97 2.74 3k7lA1 GLY 563 H 0.11 0.07 -0.11 -0.55 8.43 7.95 3k7lA1 GLY 563 HA2 0.03 0.15 0.76 -0.51 4.01 4.45 3k7lA1 GLY 563 HA3 0.08 0.14 0.59 -0.51 4.01 4.31 3k7lA1 ARG 564 H 0.03 0.22 0.25 -0.55 8.46 8.40 3k7lA1 ARG 564 HA -0.13 0.07 0.39 -0.75 4.34 3.92 3k7lA1 ARG 564 HB2 -0.12 0.10 0.05 -0.04 1.90 1.89 3k7lA1 ARG 564 HB3 -0.20 -0.16 0.03 -0.04 1.80 1.42 3k7lA1 ARG 564 HG2 -0.61 -0.17 -0.18 -0.04 1.67 0.68 3k7lA1 ARG 564 HG3 -0.63 0.21 -0.19 -0.04 1.67 1.02 3k7lA1 ARG 564 HD2 -0.21 -0.16 -0.01 -0.04 3.22 2.80 3k7lA1 ARG 564 HD3 -0.19 0.05 -0.08 -0.04 3.22 2.96 3k7lA1 LEU 565 H -0.20 0.61 0.39 -0.55 8.37 8.62 3k7lA1 LEU 565 HA 0.02 -0.00 0.55 -0.75 4.35 4.16 3k7lA1 LEU 565 HB2 -0.07 -0.01 -0.05 -0.04 1.64 1.47 3k7lA1 LEU 565 HB3 -0.19 0.10 0.12 -0.04 1.64 1.63 3k7lA1 LEU 565 HG -0.07 -0.02 -0.41 -0.04 1.64 1.10 3k7lA1 LEU 565 HD13 0.14 -0.04 0.03 -0.04 0.93 1.01 3k7lA1 LEU 565 HD23 -0.07 -0.02 -0.21 -0.04 0.89 0.55 3k7lA1 PHE 566 H -0.27 0.12 0.15 -0.55 8.34 7.78 3k7lA1 PHE 566 HA -0.20 0.41 0.89 -0.75 4.62 4.96 3k7lA1 PHE 566 HB2 -1.05 -0.07 0.03 -0.04 3.15 2.02 3k7lA1 PHE 566 HB3 -0.33 -0.06 -0.06 -0.04 3.06 2.57 3k7lA1 PHE 566 HD2 -0.66 -0.01 -0.28 -0.04 7.28 6.30 3k7lA1 PHE 566 HE2 -0.11 -0.03 -0.10 -0.04 7.38 7.10 3k7lA1 PHE 566 HZ -0.08 -0.10 -0.26 -0.04 7.32 6.84 3k7lA1 CYS 567 H -0.01 0.80 0.32 -0.55 8.50 9.06 3k7lA1 CYS 567 HA 0.03 0.04 0.93 -0.75 4.58 4.83 3k7lA1 CYS 567 HB2 -0.02 0.02 -0.06 -0.04 2.97 2.87 3k7lA1 CYS 567 HB3 0.00 -0.00 -0.06 -0.04 2.97 2.87 3k7lA1 LYS 568 H 0.03 0.77 0.26 -0.55 8.42 8.92 3k7lA1 LYS 568 HA 0.02 0.12 0.81 -0.75 4.32 4.51 3k7lA1 LYS 568 HB2 0.01 0.12 0.02 -0.04 1.87 1.99 3k7lA1 LYS 568 HB3 0.03 -0.14 -0.24 -0.04 1.79 1.39 3k7lA1 LYS 568 HG2 0.03 -0.03 -0.11 -0.04 1.46 1.30 3k7lA1 LYS 568 HG3 0.02 -0.08 -0.12 -0.04 1.46 1.24 3k7lA1 LYS 568 HD2 0.01 0.23 -0.16 -0.04 1.69 1.74 3k7lA1 LYS 568 HD3 0.01 0.11 -0.02 -0.04 1.68 1.74 3k7lA1 LYS 568 HE2 0.02 -0.07 -0.08 -0.04 2.99 2.81 3k7lA1 LYS 568 HE3 0.01 -0.02 -0.02 -0.04 2.99 2.92 3k7lA1 ARG 569 H 0.01 0.07 0.10 -0.55 8.46 8.09 3k7lA1 ARG 569 HA 0.01 0.27 0.83 -0.75 4.34 4.70 3k7lA1 ARG 569 HB2 0.01 -0.03 0.13 -0.04 1.90 1.97 3k7lA1 ARG 569 HB3 0.01 -0.14 0.27 -0.04 1.80 1.90 3k7lA1 ARG 569 HG2 0.01 0.04 0.02 -0.04 1.67 1.70 3k7lA1 ARG 569 HG3 0.01 0.00 -0.02 -0.04 1.67 1.62 3k7lA1 ARG 569 HD2 0.01 0.15 0.07 -0.04 3.22 3.40 3k7lA1 ARG 569 HD3 0.01 -0.12 0.11 -0.04 3.22 3.18 3k7lA1 ARG 570 H 0.01 0.16 0.18 -0.55 8.46 8.25 3k7lA1 ARG 570 HA 0.01 0.26 0.59 -0.75 4.34 4.44 3k7lA1 ARG 570 HB2 0.01 0.03 0.05 -0.04 1.90 1.94 3k7lA1 ARG 570 HB3 0.01 0.04 0.10 -0.04 1.80 1.91 3k7lA1 ARG 570 HG2 0.00 0.03 -0.06 -0.04 1.67 1.60 3k7lA1 ARG 570 HG3 0.00 -0.00 -0.57 -0.04 1.67 1.06 3k7lA1 ARG 570 HD2 0.00 0.02 -0.07 -0.04 3.22 3.13 3k7lA1 ARG 570 HD3 0.00 -0.19 -0.05 -0.04 3.22 2.95 3k7lA1 ASN 571 H 0.00 0.16 0.05 -0.55 8.53 8.20 3k7lA1 ASN 571 HA 0.00 0.01 0.30 -0.75 4.76 4.32 3k7lA1 ASN 571 HB2 0.00 -0.01 0.18 -0.04 2.88 3.01 3k7lA1 ASN 571 HB3 0.00 0.17 0.34 -0.04 2.79 3.27 3k7lA1 ASN 571 HD21 0.00 -0.02 -0.01 -0.04 7.03 6.96 3k7lA1 ASN 571 HD22 0.00 0.03 0.02 -0.04 7.74 7.76 3k7lA1 SER 572 H 0.00 0.20 -1.16 -0.55 8.46 6.97 3k7lA1 SER 572 HA 0.00 -0.14 -0.01 -0.75 4.49 3.59 3k7lA1 SER 572 HB2 0.01 0.02 -0.08 -0.04 3.95 3.86 3k7lA1 SER 572 HB3 0.01 0.12 0.06 -0.04 3.93 4.07 3k7lA1 MET 573 H -0.00 -0.01 0.15 -0.55 8.47 8.06 3k7lA1 MET 573 HA -0.00 0.19 0.38 -0.75 4.52 4.33 3k7lA1 MET 573 HB2 -0.01 -0.05 0.06 -0.04 2.15 2.11 3k7lA1 MET 573 HB3 -0.01 -0.06 0.10 -0.04 2.03 2.02 3k7lA1 MET 573 HG2 -0.00 0.26 0.08 -0.04 2.63 2.92 3k7lA1 MET 573 HG3 -0.00 -0.06 0.05 -0.04 2.56 2.51 3k7lA1 MET 573 HE3 -0.00 -0.02 0.02 -0.04 2.10 2.06 3k7lA1 ILE 574 H -0.00 -0.10 0.13 -0.55 8.25 7.73 3k7lA1 ILE 574 HA -0.01 -0.00 0.42 -0.75 4.18 3.83 3k7lA1 ILE 574 HB 0.01 -0.01 0.03 -0.04 1.89 1.87 3k7lA1 ILE 574 HG12 0.00 0.05 0.01 -0.04 1.49 1.51 3k7lA1 ILE 574 HG13 -0.00 0.02 0.05 -0.04 1.21 1.23 3k7lA1 ILE 574 HG23 0.01 0.02 -0.17 -0.04 0.93 0.75 3k7lA1 ILE 574 HD13 -0.00 -0.05 0.06 -0.04 0.88 0.85 3k7lA1 CYS 575 H -0.03 0.08 0.18 -0.55 8.50 8.18 3k7lA1 CYS 575 HA 0.01 0.17 0.72 -0.75 4.58 4.73 3k7lA1 CYS 575 HB2 -0.11 -0.05 0.24 -0.04 2.97 3.00 3k7lA1 CYS 575 HB3 -0.21 0.06 0.02 -0.04 2.97 2.80 3k7lA1 ASN 576 H 0.06 0.56 0.23 -0.55 8.53 8.84 3k7lA1 ASN 576 HA 0.07 0.12 0.84 -0.75 4.76 5.03 3k7lA1 ASN 576 HB2 0.02 0.06 0.04 -0.04 2.88 2.96 3k7lA1 ASN 576 HB3 0.01 0.06 -0.02 -0.04 2.79 2.80 3k7lA1 ASN 576 HD21 0.01 -0.13 -0.12 -0.04 7.03 6.76 3k7lA1 ASN 576 HD22 0.02 0.29 0.03 -0.04 7.74 8.04 3k7lA1 CYS 577 H -0.01 0.28 0.25 -0.55 8.50 8.48 3k7lA1 CYS 577 HA -0.24 0.29 0.89 -0.75 4.58 4.77 3k7lA1 CYS 577 HB2 -0.46 0.17 0.01 -0.04 2.97 2.66 3k7lA1 CYS 577 HB3 -0.26 -0.06 -0.31 -0.04 2.97 2.30 3k7lA1 SER 578 H -0.19 0.34 0.17 -0.55 8.46 8.24 3k7lA1 SER 578 HA 0.03 0.11 0.86 -0.75 4.49 4.74 3k7lA1 SER 578 HB2 -0.36 -0.03 0.03 -0.04 3.95 3.55 3k7lA1 SER 578 HB3 0.06 0.03 -0.00 -0.04 3.93 3.97 3k7lA1 ILE 579 H 0.15 0.19 0.16 -0.55 8.25 8.19 3k7lA1 ILE 579 HA 0.10 0.36 0.87 -0.75 4.18 4.76 3k7lA1 ILE 579 HB 0.04 -0.07 -0.10 -0.04 1.89 1.73 3k7lA1 ILE 579 HG12 -0.01 0.22 -0.32 -0.04 1.49 1.34 3k7lA1 ILE 579 HG13 0.00 -0.15 -0.68 -0.04 1.21 0.34 3k7lA1 ILE 579 HG23 0.03 0.01 -0.13 -0.04 0.93 0.80 3k7lA1 ILE 579 HD13 0.02 -0.01 -0.19 -0.04 0.88 0.65 3k7lA1 SER 580 H 0.06 0.31 -0.07 -0.55 8.46 8.22 3k7lA1 SER 580 HA -0.03 0.16 0.79 -0.75 4.49 4.66 3k7lA1 SER 580 HB2 0.08 0.18 -0.15 -0.04 3.95 4.03 3k7lA1 SER 580 HB3 -0.03 -0.59 0.04 -0.04 3.93 3.30 3k7lA1 PRO 581 HA 0.00 0.11 0.43 -0.51 4.44 4.48 3k7lA1 PRO 581 HB2 -0.01 0.05 -0.03 -0.04 2.28 2.25 3k7lA1 PRO 581 HB3 -0.00 0.04 0.08 -0.04 2.02 2.09 3k7lA1 PRO 581 HG2 -0.02 -0.01 0.09 -0.04 2.03 2.05 3k7lA1 PRO 581 HG3 -0.01 0.06 0.05 -0.04 2.03 2.09 3k7lA1 PRO 581 HD2 -0.02 0.16 0.17 -0.04 3.68 3.95 3k7lA1 PRO 581 HD3 0.00 0.14 -0.01 -0.04 3.65 3.74 3k7lA1 ARG 582 H -0.03 0.06 -0.24 -0.55 8.46 7.69 3k7lA1 ARG 582 HA -0.02 0.04 0.30 -0.75 4.34 3.91 3k7lA1 ARG 582 HB2 -0.06 0.06 0.02 -0.04 1.90 1.88 3k7lA1 ARG 582 HB3 -0.04 -0.00 0.06 -0.04 1.80 1.77 3k7lA1 ARG 582 HG2 -0.05 -0.05 0.10 -0.04 1.67 1.62 3k7lA1 ARG 582 HG3 -0.09 -0.07 0.06 -0.04 1.67 1.53 3k7lA1 ARG 582 HD2 -0.12 0.02 0.02 -0.04 3.22 3.11 3k7lA1 ARG 582 HD3 -0.08 -0.02 0.04 -0.04 3.22 3.12 3k7lA1 ASP 583 H -0.01 0.12 -0.27 -0.55 8.40 7.69 3k7lA1 ASP 583 HA 0.01 0.20 0.54 -0.75 4.63 4.62 3k7lA1 ASP 583 HB2 -0.01 0.04 -0.14 -0.04 2.71 2.57 3k7lA1 ASP 583 HB3 -0.03 -0.04 0.07 -0.04 2.70 2.66 3k7lA1 PRO 584 HA 0.04 0.14 0.15 -0.51 4.44 4.25 3k7lA1 PRO 584 HB2 0.02 0.02 0.01 -0.04 2.28 2.29 3k7lA1 PRO 584 HB3 0.02 0.06 0.05 -0.04 2.02 2.11 3k7lA1 PRO 584 HG2 0.02 0.00 0.03 -0.04 2.03 2.04 3k7lA1 PRO 584 HG3 0.01 0.03 0.06 -0.04 2.03 2.09 3k7lA1 PRO 584 HD2 0.02 0.02 0.17 -0.04 3.68 3.85 3k7lA1 PRO 584 HD3 0.01 0.27 0.26 -0.04 3.65 4.15 3k7lA1 ASN 585 H 0.04 0.01 -0.32 -0.55 8.53 7.72 3k7lA1 ASN 585 HA 0.02 0.17 0.64 -0.75 4.76 4.83 3k7lA1 ASN 585 HB2 0.04 -0.05 -0.04 -0.04 2.88 2.80 3k7lA1 ASN 585 HB3 0.03 0.02 0.04 -0.04 2.79 2.83 3k7lA1 ASN 585 HD21 0.02 -0.01 -0.00 -0.04 7.03 6.99 3k7lA1 ASN 585 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 3k7lA1 TYR 586 H 0.15 0.47 -0.19 -0.55 8.29 8.17 3k7lA1 TYR 586 HA -0.02 0.02 0.32 -0.75 4.56 4.13 3k7lA1 TYR 586 HB2 -0.01 -0.06 0.01 -0.04 3.06 2.96 3k7lA1 TYR 586 HB3 -0.02 0.10 0.05 -0.04 2.98 3.07 3k7lA1 TYR 586 HD2 -0.02 -0.01 -0.28 -0.04 7.15 6.80 3k7lA1 TYR 586 HE2 -0.01 -0.02 -0.06 -0.04 6.85 6.72 3k7lA1 GLY 587 H -0.54 0.08 0.11 -0.55 8.43 7.53 3k7lA1 GLY 587 HA2 -0.37 -0.07 0.31 -0.51 4.01 3.37 3k7lA1 GLY 587 HA3 -0.27 0.25 0.40 -0.51 4.01 3.88 3k7lA1 MET 588 H -0.09 0.37 -0.55 -0.55 8.47 7.66 3k7lA1 MET 588 HA -0.08 0.00 0.43 -0.75 4.52 4.11 3k7lA1 MET 588 HB2 -0.03 0.00 0.02 -0.04 2.15 2.11 3k7lA1 MET 588 HB3 -0.02 0.11 -0.05 -0.04 2.03 2.02 3k7lA1 MET 588 HG2 -0.02 0.08 -0.13 -0.04 2.63 2.52 3k7lA1 MET 588 HG3 -0.01 -0.10 -0.03 -0.04 2.56 2.38 3k7lA1 MET 588 HE3 -0.01 0.08 -0.36 -0.04 2.10 1.78 3k7lA1 VAL 589 H -0.02 0.65 0.14 -0.55 8.24 8.45 3k7lA1 VAL 589 HA -0.02 -0.13 0.36 -0.75 4.13 3.59 3k7lA1 VAL 589 HB 0.02 0.08 -0.08 -0.04 2.12 2.10 3k7lA1 VAL 589 HG13 -0.01 0.02 -0.06 -0.04 0.97 0.88 3k7lA1 VAL 589 HG23 0.12 0.02 -0.14 -0.04 0.95 0.91 3k7lA1 GLU 590 H -0.03 -0.04 0.10 -0.55 8.60 8.09 3k7lA1 GLU 590 HA -0.03 0.17 0.51 -0.75 4.29 4.18 3k7lA1 GLU 590 HB2 -0.03 -0.07 -0.07 -0.04 2.09 1.88 3k7lA1 GLU 590 HB3 -0.02 0.06 0.06 -0.04 1.99 2.05 3k7lA1 GLU 590 HG2 -0.03 0.13 0.03 -0.04 2.34 2.43 3k7lA1 GLU 590 HG3 -0.02 -0.13 0.03 -0.04 2.34 2.17 3k7lA1 PRO 591 HA -0.14 -0.02 0.39 -0.51 4.44 4.17 3k7lA1 PRO 591 HB2 -0.38 0.04 0.03 -0.04 2.28 1.92 3k7lA1 PRO 591 HB3 -0.10 -0.09 0.14 -0.04 2.02 1.93 3k7lA1 PRO 591 HG2 -0.05 0.03 0.11 -0.04 2.03 2.08 3k7lA1 PRO 591 HG3 0.01 0.02 0.10 -0.04 2.03 2.12 3k7lA1 PRO 591 HD2 -0.02 0.08 0.24 -0.04 3.68 3.93 3k7lA1 PRO 591 HD3 -0.03 0.19 0.18 -0.04 3.65 3.94 3k7lA1 GLY 592 H -0.17 0.42 0.40 -0.55 8.43 8.54 3k7lA1 GLY 592 HA2 -0.10 -0.03 0.34 -0.51 4.01 3.71 3k7lA1 GLY 592 HA3 -0.42 0.10 0.48 -0.51 4.01 3.67 3k7lA1 THR 593 H -0.08 0.32 -0.05 -0.55 8.28 7.93 3k7lA1 THR 593 HA 0.01 0.20 0.70 -0.75 4.39 4.54 3k7lA1 THR 593 HB -0.03 0.01 0.03 -0.04 4.32 4.29 3k7lA1 THR 593 HG23 -0.01 0.04 -0.04 -0.04 1.22 1.16 3k7lA1 LYS 594 H 0.04 0.18 0.29 -0.55 8.42 8.37 3k7lA1 LYS 594 HA 0.14 0.23 0.73 -0.75 4.32 4.66 3k7lA1 LYS 594 HB2 0.08 -0.07 0.26 -0.04 1.87 2.10 3k7lA1 LYS 594 HB3 0.01 0.02 0.28 -0.04 1.79 2.06 3k7lA1 LYS 594 HG2 0.09 -0.21 -0.05 -0.04 1.46 1.25 3k7lA1 LYS 594 HG3 0.44 0.01 0.14 -0.04 1.46 2.01 3k7lA1 LYS 594 HD2 -0.19 0.04 -0.15 -0.04 1.69 1.35 3k7lA1 LYS 594 HD3 -0.04 -0.01 0.00 -0.04 1.68 1.59 3k7lA1 LYS 594 HE2 0.11 -0.11 -0.08 -0.04 2.99 2.87 3k7lA1 LYS 594 HE3 0.02 -0.08 -0.00 -0.04 2.99 2.88 3k7lA1 CYS 595 H 0.02 0.61 0.16 -0.55 8.50 8.75 3k7lA1 CYS 595 HA -0.07 0.19 0.86 -0.75 4.58 4.81 3k7lA1 CYS 595 HB2 -0.07 -0.06 0.08 -0.04 2.97 2.88 3k7lA1 CYS 595 HB3 -0.06 0.12 -0.20 -0.04 2.97 2.79 3k7lA1 GLY 596 H 0.03 0.28 0.06 -0.55 8.43 8.25 3k7lA1 GLY 596 HA2 -0.01 0.01 0.36 -0.51 4.01 3.86 3k7lA1 GLY 596 HA3 -0.01 0.13 0.28 -0.51 4.01 3.91 3k7lA1 ASP 597 H 0.01 0.13 0.11 -0.55 8.40 8.11 3k7lA1 ASP 597 HA 0.11 0.05 0.57 -0.75 4.63 4.61 3k7lA1 ASP 597 HB2 0.06 0.04 0.13 -0.04 2.71 2.89 3k7lA1 ASP 597 HB3 0.03 -0.00 0.15 -0.04 2.70 2.84 3k7lA1 GLY 598 H 0.20 0.18 0.26 -0.55 8.43 8.52 3k7lA1 GLY 598 HA2 -0.19 0.06 0.34 -0.51 4.01 3.71 3k7lA1 GLY 598 HA3 -0.05 0.01 0.35 -0.51 4.01 3.81 3k7lA1 MET 599 H 0.02 0.44 -0.10 -0.55 8.47 8.28 3k7lA1 MET 599 HA -0.13 0.23 0.82 -0.75 4.52 4.69 3k7lA1 MET 599 HB2 -0.02 -0.07 -0.36 -0.04 2.15 1.66 3k7lA1 MET 599 HB3 -0.05 0.03 -0.24 -0.04 2.03 1.73 3k7lA1 MET 599 HG2 -0.07 -0.04 -0.23 -0.04 2.63 2.25 3k7lA1 MET 599 HG3 -0.04 0.13 -0.71 -0.04 2.56 1.89 3k7lA1 MET 599 HE3 -0.04 -0.03 -0.30 -0.04 2.10 1.68 3k7lA1 VAL 600 H -0.13 0.71 0.27 -0.55 8.24 8.55 3k7lA1 VAL 600 HA -0.01 0.28 1.11 -0.75 4.13 4.76 3k7lA1 VAL 600 HB -0.02 0.06 -0.07 -0.04 2.12 2.05 3k7lA1 VAL 600 HG13 0.04 -0.02 -0.30 -0.04 0.97 0.64 3k7lA1 VAL 600 HG23 -0.25 -0.02 -0.19 -0.04 0.95 0.44 3k7lA1 CYS 601 H -0.04 0.70 0.19 -0.55 8.50 8.80 3k7lA1 CYS 601 HA -0.06 0.35 0.89 -0.75 4.58 5.00 3k7lA1 CYS 601 HB2 -0.07 -0.14 0.12 -0.04 2.97 2.84 3k7lA1 CYS 601 HB3 -0.05 -0.00 -0.10 -0.04 2.97 2.77 3k7lA1 SER 602 H -0.06 0.80 0.33 -0.55 8.46 8.98 3k7lA1 SER 602 HA -0.07 0.13 0.81 -0.75 4.49 4.61 3k7lA1 SER 602 HB2 -0.11 0.02 -0.17 -0.04 3.95 3.65 3k7lA1 SER 602 HB3 -0.07 0.03 0.00 -0.04 3.93 3.85 3k7lA1 ASN 603 H -0.01 0.17 0.11 -0.55 8.53 8.24 3k7lA1 ASN 603 HA -0.00 0.06 0.34 -0.75 4.76 4.40 3k7lA1 ASN 603 HB2 -0.01 0.06 0.09 -0.04 2.88 2.99 3k7lA1 ASN 603 HB3 0.00 0.03 0.15 -0.04 2.79 2.93 3k7lA1 ASN 603 HD21 0.02 0.01 0.04 -0.04 7.03 7.06 3k7lA1 ASN 603 HD22 0.01 0.04 0.06 -0.04 7.74 7.81 3k7lA1 ARG 604 H -0.02 0.06 -0.27 -0.55 8.46 7.67 3k7lA1 ARG 604 HA -0.01 0.17 0.24 -0.75 4.34 3.98 3k7lA1 ARG 604 HB2 0.00 0.07 -0.36 -0.04 1.90 1.57 3k7lA1 ARG 604 HB3 0.01 0.04 0.06 -0.04 1.80 1.87 3k7lA1 ARG 604 HG2 -0.00 -0.24 -0.13 -0.04 1.67 1.25 3k7lA1 ARG 604 HG3 0.00 -0.02 -0.07 -0.04 1.67 1.55 3k7lA1 ARG 604 HD2 0.00 0.17 0.14 -0.04 3.22 3.50 3k7lA1 ARG 604 HD3 -0.01 0.23 0.13 -0.04 3.22 3.53 3k7lA1 GLN 605 H -0.03 0.62 -0.39 -0.55 8.47 8.13 3k7lA1 GLN 605 HA -0.01 0.10 0.54 -0.75 4.36 4.23 3k7lA1 GLN 605 HB2 -0.03 -0.03 -0.08 -0.04 2.15 1.97 3k7lA1 GLN 605 HB3 -0.02 -0.08 -0.01 -0.04 2.02 1.86 3k7lA1 GLN 605 HG2 -0.01 0.12 -0.06 -0.04 2.40 2.41 3k7lA1 GLN 605 HG3 -0.01 0.20 -0.14 -0.04 2.39 2.39 3k7lA1 GLN 605 HE21 -0.02 -0.07 -0.04 -0.04 6.97 6.81 3k7lA1 GLN 605 HE22 -0.02 0.01 -0.08 -0.04 7.69 7.56 3k7lA1 CYS 606 H -0.02 0.08 0.05 -0.55 8.50 8.05 3k7lA1 CYS 606 HA -0.05 0.16 0.61 -0.75 4.58 4.55 3k7lA1 CYS 606 HB2 -0.03 -0.07 0.06 -0.04 2.97 2.89 3k7lA1 CYS 606 HB3 -0.03 0.09 0.15 -0.04 2.97 3.14 3k7lA1 VAL 607 H -0.08 1.04 0.39 -0.55 8.24 9.04 3k7lA1 VAL 607 HA -0.06 0.21 1.16 -0.75 4.13 4.68 3k7lA1 VAL 607 HB -0.08 -0.08 0.01 -0.04 2.12 1.92 3k7lA1 VAL 607 HG13 -0.06 0.07 -0.29 -0.04 0.97 0.65 3k7lA1 VAL 607 HG23 -0.15 0.06 -0.28 -0.04 0.95 0.54 3k7lA1 ASP 608 H -0.07 0.13 0.16 -0.55 8.40 8.07 3k7lA1 ASP 608 HA -0.10 0.29 0.60 -0.75 4.63 4.67 3k7lA1 ASP 608 HB2 -0.06 0.07 0.16 -0.04 2.71 2.85 3k7lA1 ASP 608 HB3 -0.07 -0.04 0.17 -0.04 2.70 2.72 3k7lA1 VAL 609 H -0.17 0.65 0.30 -0.55 8.24 8.46 3k7lA1 VAL 609 HA -0.34 0.10 0.32 -0.75 4.13 3.45 3k7lA1 VAL 609 HB -0.19 0.03 -0.13 -0.04 2.12 1.79 3k7lA1 VAL 609 HG13 -0.49 0.02 -0.13 -0.04 0.97 0.33 3k7lA1 VAL 609 HG23 -0.22 0.09 0.07 -0.04 0.95 0.85 3k7lA1 LYS 610 H -0.11 0.12 -0.17 -0.55 8.42 7.70 3k7lA1 LYS 610 HA -0.05 0.11 0.55 -0.75 4.32 4.18 3k7lA1 LYS 610 HB2 -0.05 -0.02 -0.02 -0.04 1.87 1.74 3k7lA1 LYS 610 HB3 -0.03 0.05 0.05 -0.04 1.79 1.82 3k7lA1 LYS 610 HG2 -0.02 0.05 0.03 -0.04 1.46 1.47 3k7lA1 LYS 610 HG3 -0.05 -0.04 0.04 -0.04 1.46 1.37 3k7lA1 LYS 610 HD2 -0.03 0.01 -0.00 -0.04 1.69 1.62 3k7lA1 LYS 610 HD3 -0.02 0.02 0.01 -0.04 1.68 1.65 3k7lA1 LYS 610 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 3k7lA1 LYS 610 HE3 -0.03 0.00 0.03 -0.04 2.99 2.95 3k7lA1 THR 611 H -0.11 0.29 -0.38 -0.55 8.28 7.53 3k7lA1 THR 611 HA -0.05 0.19 0.87 -0.75 4.39 4.65 3k7lA1 THR 611 HB -0.06 0.01 0.05 -0.04 4.32 4.28 3k7lA1 THR 611 HG23 -0.05 -0.03 -0.03 -0.04 1.22 1.07 3k7lA1 ALA 612 H -0.25 0.15 -0.15 -0.55 8.40 7.60 3k7lA1 ALA 612 HA -0.17 0.12 0.63 -0.75 4.34 4.17 3k7lA1 ALA 612 HB3 -0.75 -0.01 -0.03 -0.04 1.41 0.58 3k7lA1 TYR 613 H -0.16 0.44 -0.14 -0.55 8.29 7.88 3k7lA1 TYR 613 HA 0.01 0.30 0.93 -0.75 4.56 5.04 3k7lA1 TYR 613 HB2 0.00 0.07 -0.10 -0.04 3.06 2.99 3k7lA1 TYR 613 HB3 0.02 -0.03 -0.04 -0.04 2.98 2.88 3k7lA1 TYR 613 HD2 0.02 0.12 -0.27 -0.04 7.15 6.99 3k7lA1 TYR 613 HE2 0.11 0.01 -0.07 -0.04 6.85 6.87