============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 1 0.900 76.180 11.391 35.282 -99.200 -91.000 PHE 7 1.000 63.862 15.549 34.211 -99.200 -91.000 PHE 22 1.000 56.434 32.024 44.491 -99.200 -91.000 PHE 37 1.000 58.026 27.899 30.443 -99.200 -91.000 PHE 39 1.000 50.744 29.832 30.850 -99.200 -91.000 TYR 48 0.840 56.641 26.913 40.394 -99.200 -91.000 PHE 65 1.000 71.350 30.069 32.668 -99.200 -91.000 HIS 76 0.900 75.188 17.034 40.910 -99.200 -91.000 HIS 97 0.900 71.520 37.130 32.750 -99.200 -91.000 PHE 100 1.000 63.199 40.204 29.534 -99.200 -91.000 TYR 108 0.840 57.624 33.362 32.031 -99.200 -91.000 PHE 114 1.000 67.194 27.424 30.194 -99.200 -91.000 PHE 122 1.000 62.225 23.384 29.397 -99.200 -91.000 TRP 124 1.040 59.765 25.458 35.465 -99.200 -91.000 TRP6 124 1.020 61.987 26.160 35.086 -99.200 -91.000