============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 1 0.900 34.235 12.146 9.657 -99.200 -91.000 PHE 2 1.000 35.739 15.499 11.319 -99.200 -91.000 TYR 9 0.840 44.769 21.677 18.003 -99.200 -91.000 TYR 16 0.840 36.809 24.378 35.296 -99.200 -91.000 HIS 21 0.900 38.469 18.094 40.927 -99.200 -91.000 PHE 22 1.000 41.970 24.605 36.268 -99.200 -91.000 HIS 41 0.900 53.882 18.491 37.918 -99.200 -91.000 TYR 55 0.840 49.923 12.653 18.864 -99.200 -91.000 TYR 64 0.840 53.712 12.869 23.428 -99.200 -91.000 TYR 74 0.840 49.508 4.947 29.994 -99.200 -91.000 PHE 85 1.000 43.490 10.729 24.583 -99.200 -91.000 HIS 93 0.900 30.287 26.429 26.640 -99.200 -91.000 TYR 94 0.840 30.298 22.500 28.633 -99.200 -91.000 TYR 97 0.840 40.123 16.963 24.464 -99.200 -91.000 HIS 102 0.900 41.030 1.084 24.024 -99.200 -91.000 TRP 107 1.040 36.228 2.501 27.090 -99.200 -91.000 TRP6 107 1.020 38.046 1.000 27.299 -99.200 -91.000 PHE 108 1.000 32.833 10.243 25.655 -99.200 -91.000 HIS 124 0.900 27.238 7.711 30.918 -99.200 -91.000 TYR 125 0.840 28.894 11.194 23.135 -99.200 -91.000 PHE 132 1.000 38.190 17.303 30.550 -99.200 -91.000