============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 2 0.900 14.251 -8.449 33.993 -99.200 -91.000 TRP 15 1.040 30.133 -3.528 47.360 -99.200 -91.000 TRP6 15 1.020 29.346 -1.315 47.182 -99.200 -91.000 TYR 35 0.840 20.848 15.703 45.737 -99.200 -91.000 TRP 37 1.040 16.097 18.030 50.113 -99.200 -91.000 TRP6 37 1.020 17.146 19.102 48.270 -99.200 -91.000 PHE 41 1.000 15.392 12.282 57.493 -99.200 -91.000 PHE 42 1.000 21.356 12.156 58.882 -99.200 -91.000 PHE 45 1.000 24.206 11.859 62.761 -99.200 -91.000 HIS 63 0.900 22.991 6.998 59.526 -99.200 -91.000 PHE 71 1.000 24.046 -0.236 47.876 -99.200 -91.000 HIS 77 0.900 20.915 -11.866 50.999 -99.200 -91.000 PHE 85 1.000 18.251 -3.711 51.731 -99.200 -91.000 HIS 92 0.900 15.639 3.181 57.216 -99.200 -91.000 HIS 97 0.900 8.148 8.885 61.897 -99.200 -91.000 PHE 103 1.000 14.973 4.881 52.031 -99.200 -91.000 HIS 116 0.900 35.907 11.972 42.808 -99.200 -91.000 HIS 117 0.900 37.412 4.255 44.686 -99.200 -91.000 PHE 118 1.000 35.689 1.469 41.879 -99.200 -91.000 PHE 122 1.000 29.788 3.771 37.879 -99.200 -91.000 TYR 130 0.840 27.565 -0.891 41.060 -99.200 -91.000 HIS 143 0.900 6.830 -4.232 48.851 -99.200 -91.000 TYR 145 0.840 8.776 4.291 54.048 -99.200 -91.000 HIS 146 0.900 2.107 1.647 57.852 -99.200 -91.000