============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 2 0.840 34.977 15.429 -19.685 -99.200 -91.000 TYR 16 0.840 37.376 18.703 -17.301 -99.200 -91.000 TRP 23 1.040 37.060 17.805 -8.305 -99.200 -91.000 TRP6 23 1.020 36.175 18.473 -6.198 -99.200 -91.000 HIS 25 0.900 32.408 9.326 -11.195 -99.200 -91.000 PHE 31 1.000 25.744 -1.370 -23.564 -99.200 -91.000 TYR 36 0.840 29.015 2.355 -25.829 -99.200 -91.000 TRP 56 1.040 29.132 0.469 -17.071 -99.200 -91.000 TRP6 56 1.020 29.059 1.380 -19.271 -99.200 -91.000 HIS 83 0.900 20.038 5.226 -15.955 -99.200 -91.000 PHE 84 1.000 16.684 -0.298 -14.982 -99.200 -91.000 HIS 85 0.900 19.799 1.057 -18.153 -99.200 -91.000 TYR 103 0.840 21.179 8.310 1.002 -99.200 -91.000 HIS 122 0.900 20.425 4.581 3.735 -99.200 -91.000 PHE 136 1.000 21.071 13.104 -0.750 -99.200 -91.000 PHE 142 1.000 12.999 18.681 -12.768 -99.200 -91.000 TYR 143 0.840 10.523 10.956 -12.965 -99.200 -91.000 HIS 148 0.900 19.310 5.691 -21.008 -99.200 -91.000 TYR 156 0.840 21.151 24.110 -11.625 -99.200 -91.000 TYR 164 0.840 25.609 13.506 -13.551 -99.200 -91.000 HIS 170 0.900 21.320 10.683 -26.169 -99.200 -91.000 TRP 188 1.040 15.014 11.193 -24.200 -99.200 -91.000 TRP6 188 1.020 16.248 9.230 -24.691 -99.200 -91.000 HIS 198 0.900 13.040 22.796 -11.949 -99.200 -91.000 TYR 199 0.840 17.344 22.201 -12.911 -99.200 -91.000 HIS 209 0.900 27.346 6.519 -21.223 -99.200 -91.000 HIS 220 0.900 23.320 16.278 -30.535 -99.200 -91.000 HIS 228 0.900 16.019 5.507 -32.358 -99.200 -91.000