============================================================================= 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. PHE 4 1.000 13.530 -1.190 76.932 -99.200 -91.000 PHE 12 1.000 7.034 -3.162 83.112 -99.200 -91.000 PHE 16 1.000 3.262 -7.366 75.022 -99.200 -91.000 PHE 17 1.000 2.244 -1.206 67.866 -99.200 -91.000 HIS 25 0.900 4.909 -17.790 68.336 -99.200 -91.000 PHE 29 1.000 11.519 -14.430 78.651 -99.200 -91.000 TYR 39 0.840 3.816 -16.609 74.030 -99.200 -91.000 HIS 40 0.900 -0.535 -10.633 74.992 -99.200 -91.000 PHE 62 1.000 10.113 -6.318 75.816 -99.200 -91.000 PHE 90 1.000 5.640 17.036 82.042 -99.200 -91.000 PHE 94 1.000 5.770 7.165 76.771 -99.200 -91.000 HIS 103 0.900 9.378 -13.718 56.011 -99.200 -91.000 TYR 107 0.840 15.530 -4.456 61.760 -99.200 -91.000 TRP 116 1.040 9.310 3.857 84.055 -99.200 -91.000 TRP6 116 1.020 10.297 3.099 82.033 -99.200 -91.000