============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 2 1.000 -50.206 31.998 19.330 -99.200 -91.000 PHE 3 1.000 -54.122 32.087 15.800 -99.200 -91.000 PHE 7 1.000 -66.088 34.515 14.161 -99.200 -91.000 HIS 26 0.900 -50.549 48.165 10.644 -99.200 -91.000 TYR 28 0.840 -55.501 39.160 9.221 -99.200 -91.000 TYR 29 0.840 -51.845 31.418 10.835 -99.200 -91.000 TYR 32 0.840 -60.694 28.321 16.952 -99.200 -91.000 TYR 33 0.840 -62.157 27.128 12.150 -99.200 -91.000 HIS 34 0.900 -55.572 24.775 9.535 -99.200 -91.000 HIS 36 0.900 -49.792 25.783 12.780 -99.200 -91.000 PHE 38 1.000 -46.856 33.198 9.312 -99.200 -91.000 TYR 44 0.840 -40.155 20.310 6.535 -99.200 -91.000 HIS 46 0.900 -31.504 24.038 10.211 -99.200 -91.000 PHE 60 1.000 -51.115 48.180 5.841 -99.200 -91.000 PHE 69 1.000 -46.627 31.437 4.035 -99.200 -91.000 HIS 77 0.900 -35.964 13.992 0.104 -99.200 -91.000 TRP 81 1.040 -27.266 13.805 -7.301 -99.200 -91.000 TRP6 81 1.020 -26.547 14.323 -5.085 -99.200 -91.000 PHE 85 1.000 -33.210 6.800 2.520 -99.200 -91.000 PHE 87 1.000 -28.838 6.668 -0.263 -99.200 -91.000 PHE 88 1.000 -24.427 15.531 3.988 -99.200 -91.000 TYR 89 0.840 -29.069 16.585 4.727 -99.200 -91.000 PHE 95 1.000 -27.715 4.989 4.384 -99.200 -91.000 PHE 102 1.000 -30.382 23.098 1.706 -99.200 -91.000 HIS 112 0.900 -45.238 46.353 1.302 -99.200 -91.000 TRP 115 1.040 -57.546 37.148 1.544 -99.200 -91.000 TRP6 115 1.020 -59.583 37.325 0.303 -99.200 -91.000 HIS 130 0.900 -45.343 45.140 -3.556 -99.200 -91.000 TYR 147 0.840 -52.393 45.721 -6.812 -99.200 -91.000 HIS 157 0.900 -54.209 35.521 -15.030 -99.200 -91.000 PHE 160 1.000 -52.931 40.397 -14.194 -99.200 -91.000 PHE 162 1.000 -57.848 46.791 -8.300 -99.200 -91.000 TRP 175 1.040 -52.353 51.045 -0.445 -99.200 -91.000 TRP6 175 1.020 -52.476 49.837 1.598 -99.200 -91.000 TRP 176 1.040 -47.016 49.187 -0.216 -99.200 -91.000 TRP6 176 1.020 -48.451 48.509 -1.979 -99.200 -91.000 TRP 178 1.040 -49.196 56.760 0.564 -99.200 -91.000 TRP6 178 1.020 -51.532 56.937 0.135 -99.200 -91.000 TRP 182 1.040 -49.727 61.961 3.998 -99.200 -91.000 TRP6 182 1.020 -48.711 62.019 1.848 -99.200 -91.000 TYR 199 0.840 -51.616 58.201 -9.949 -99.200 -91.000 TRP 202 1.040 -49.174 59.429 -3.676 -99.200 -91.000 TRP6 202 1.020 -48.114 59.178 -5.791 -99.200 -91.000