============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 12 1.040 -40.657 32.231 71.929 -99.200 -91.000 TRP6 12 1.020 -42.843 32.154 72.828 -99.200 -91.000 TRP 14 1.040 -41.582 38.839 74.074 -99.200 -91.000 TRP6 14 1.020 -43.657 38.270 73.093 -99.200 -91.000 HIS 21 0.900 -15.398 45.585 77.006 -99.200 -91.000 TYR 24 0.840 -17.351 36.037 74.654 -99.200 -91.000 TRP 25 1.040 -19.331 44.038 73.575 -99.200 -91.000 TRP6 25 1.020 -19.882 45.414 75.410 -99.200 -91.000 HIS 27 0.900 -27.614 35.689 77.523 -99.200 -91.000 PHE 28 1.000 -25.439 40.916 81.957 -99.200 -91.000 HIS 35 0.900 -41.712 52.800 75.119 -99.200 -91.000 TRP 38 1.040 -38.407 53.040 78.513 -99.200 -91.000 TRP6 38 1.020 -37.265 53.746 80.466 -99.200 -91.000 HIS 44 0.900 -31.146 37.705 89.623 -99.200 -91.000 HIS 64 0.900 -28.997 29.550 65.231 -99.200 -91.000 TYR 66 0.840 -22.398 34.988 72.509 -99.200 -91.000 TYR 67 0.840 -23.216 31.696 65.629 -99.200 -91.000 HIS 80 0.900 -38.994 48.309 93.505 -99.200 -91.000 PHE 83 1.000 -32.053 42.898 93.752 -99.200 -91.000 TYR 84 0.840 -28.410 43.539 100.039 -99.200 -91.000 HIS 106 0.900 -37.094 37.932 63.367 -99.200 -91.000 HIS 108 0.900 -44.003 42.285 67.712 -99.200 -91.000 PHE 119 1.000 -50.896 36.486 83.839 -99.200 -91.000 TRP 126 1.040 -45.567 28.410 75.489 -99.200 -91.000 TRP6 126 1.020 -44.493 26.566 74.485 -99.200 -91.000 TRP 130 1.040 -30.207 32.761 73.362 -99.200 -91.000 TRP6 130 1.020 -31.244 34.887 73.331 -99.200 -91.000 PHE 141 1.000 -22.973 29.502 71.974 -99.200 -91.000 HIS 154 0.900 -50.196 27.747 101.299 -99.200 -91.000 TYR 160 0.840 -38.760 26.704 96.292 -99.200 -91.000 HIS 161 0.900 -42.036 26.777 103.892 -99.200 -91.000 TYR 165 0.840 -32.401 21.136 108.726 -99.200 -91.000 TRP 203 1.040 -48.349 35.228 72.588 -99.200 -91.000 TRP6 203 1.020 -47.854 33.255 73.792 -99.200 -91.000 TRP 211 1.040 -36.025 33.476 94.096 -99.200 -91.000 TRP6 211 1.020 -36.140 31.881 95.842 -99.200 -91.000 TYR 224 0.840 -40.483 32.109 86.221 -99.200 -91.000 TYR 229 0.840 -46.107 43.111 94.943 -99.200 -91.000 TYR 230 0.840 -42.432 44.727 92.553 -99.200 -91.000 TRP 233 1.040 -40.187 50.862 90.308 -99.200 -91.000 TRP6 233 1.020 -38.923 49.654 88.720 -99.200 -91.000 HIS 235 0.900 -47.615 50.926 83.199 -99.200 -91.000 HIS 236 0.900 -42.052 57.414 88.970 -99.200 -91.000 TYR 237 0.840 -38.818 54.720 87.066 -99.200 -91.000