============================================================================= 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. HIS 17 0.900 32.973 82.776 19.828 -99.200 -91.000 PHE 25 1.000 22.344 69.118 29.507 -99.200 -91.000 TRP 26 1.040 23.385 76.191 33.566 -99.200 -91.000 TRP6 26 1.020 22.159 78.206 33.654 -99.200 -91.000 TYR 53 0.840 31.134 68.833 26.337 -99.200 -91.000 PHE 57 1.000 27.191 71.522 30.616 -99.200 -91.000 TYR 75 0.840 30.621 56.633 37.542 -99.200 -91.000 PHE 78 1.000 25.712 63.243 39.417 -99.200 -91.000 PHE 86 1.000 26.805 67.604 26.491 -99.200 -91.000 HIS 113 0.900 11.990 56.554 26.939 -99.200 -91.000 HIS 131 0.900 15.842 49.653 17.938 -99.200 -91.000 HIS 132 0.900 16.092 50.364 13.291 -99.200 -91.000 TRP 142 1.040 24.924 56.992 -7.995 -99.200 -91.000 TRP6 142 1.020 25.160 54.708 -7.464 -99.200 -91.000 HIS 165 0.900 30.465 66.675 13.460 -99.200 -91.000 PHE 166 1.000 22.036 66.005 6.761 -99.200 -91.000 HIS 167 0.900 22.648 70.610 4.897 -99.200 -91.000 HIS 182 0.900 15.712 50.166 9.470 -99.200 -91.000 PHE 198 1.000 13.149 64.918 18.756 -99.200 -91.000 PHE 214 1.000 12.900 68.258 11.731 -99.200 -91.000 TYR 222 0.840 8.893 52.046 -7.348 -99.200 -91.000 HIS 237 0.900 9.625 57.205 -7.646 -99.200 -91.000 HIS 246 0.900 17.941 80.137 17.550 -99.200 -91.000 TYR 250 0.840 8.440 67.533 11.543 -99.200 -91.000 HIS 251 0.900 2.887 69.282 17.172 -99.200 -91.000 PHE 258 1.000 3.011 74.379 12.110 -99.200 -91.000