============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 61.873 80.847 39.038 -99.200 -91.000 TYR 36 0.840 57.441 79.775 34.655 -99.200 -91.000 TRP 39 1.040 57.657 75.031 21.513 -99.200 -91.000 TRP6 39 1.020 59.265 75.192 19.789 -99.200 -91.000 TYR 53 0.840 49.460 76.625 29.167 -99.200 -91.000 PHE 66 1.000 50.307 72.363 15.817 -99.200 -91.000 PHE 75 1.000 62.722 73.421 26.927 -99.200 -91.000 TYR 90 0.840 54.659 76.303 13.874 -99.200 -91.000 TYR 91 0.840 58.804 84.187 15.522 -99.200 -91.000 HIS 97 0.900 67.712 82.182 33.014 -99.200 -91.000 PHE 98 1.000 62.694 91.326 33.211 -99.200 -91.000 PHE 102 1.000 59.146 86.167 21.813 -99.200 -91.000 PHE 122 1.000 66.107 92.955 -16.811 -99.200 -91.000 PHE 139 1.000 63.704 91.374 -12.009 -99.200 -91.000 PHE 143 1.000 65.899 81.356 -5.538 -99.200 -91.000 TYR 144 0.840 62.701 73.922 -2.731 -99.200 -91.000 TRP 152 1.040 74.439 93.153 -7.258 -99.200 -91.000 TRP6 152 1.020 73.855 93.482 -9.523 -99.200 -91.000 TRP 167 1.040 65.669 87.091 -0.523 -99.200 -91.000 TRP6 167 1.020 66.484 88.892 0.788 -99.200 -91.000 TYR 177 0.840 61.212 79.790 -0.892 -99.200 -91.000 TYR 190 0.840 75.985 102.252 -15.395 -99.200 -91.000 HIS 193 0.900 83.721 100.537 -11.694 -99.200 -91.000 TYR 196 0.840 78.298 98.286 -13.920 -99.200 -91.000 HIS 202 0.900 69.682 76.956 -5.721 -99.200 -91.000 PHE 213 1.000 74.991 95.848 -17.814 -99.200 -91.000