============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 21 0.900 13.661 53.267 -6.690 -99.200 -91.000 PHE 37 1.000 3.019 67.659 5.989 -99.200 -91.000 HIS 46 0.900 25.037 64.124 11.898 -99.200 -91.000 PHE 48 1.000 19.142 59.607 7.078 -99.200 -91.000 PHE 68 1.000 10.199 60.469 3.294 -99.200 -91.000 PHE 83 1.000 16.111 69.051 2.090 -99.200 -91.000 HIS 88 0.900 12.102 74.468 -9.201 -99.200 -91.000 TYR 112 0.840 -2.044 66.974 5.273 -99.200 -91.000 PHE 118 1.000 19.770 56.432 -4.659 -99.200 -91.000 HIS 120 0.900 26.017 56.701 -5.689 -99.200 -91.000 TRP 121 1.040 28.866 57.819 -2.438 -99.200 -91.000 TRP6 121 1.020 31.097 58.603 -2.676 -99.200 -91.000 TYR 132 0.840 17.873 61.626 -15.042 -99.200 -91.000 TYR 134 0.840 8.382 67.656 -13.558 -99.200 -91.000 HIS 163 0.900 16.317 44.635 -6.890 -99.200 -91.000 PHE 165 1.000 21.591 47.731 -6.761 -99.200 -91.000