============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 2.395 -9.743 9.477 -99.200 -91.000 TRP6 14 1.020 4.452 -10.817 9.759 -99.200 -91.000 TRP 35 1.040 -9.597 -20.325 9.950 -99.200 -91.000 TRP6 35 1.020 -11.826 -19.658 10.010 -99.200 -91.000 HIS 41 0.900 -14.250 -0.372 12.070 -99.200 -91.000 PHE 43 1.000 -15.994 -7.577 7.587 -99.200 -91.000 TRP 49 1.040 -23.482 -9.913 3.726 -99.200 -91.000 TRP6 49 1.020 -21.791 -9.553 5.315 -99.200 -91.000 HIS 59 0.900 4.957 -3.033 -1.627 -99.200 -91.000 HIS 64 0.900 -1.155 -9.516 -10.917 -99.200 -91.000 TYR 82 0.840 -19.345 -4.483 15.773 -99.200 -91.000 HIS 89 0.900 -17.047 -7.151 23.105 -99.200 -91.000 HIS 97 0.900 -15.087 -21.110 -2.178 -99.200 -91.000 HIS 105 0.900 7.258 -11.800 -2.072 -99.200 -91.000 PHE 116 1.000 4.786 -14.616 24.265 -99.200 -91.000 PHE 123 1.000 3.163 -5.250 30.834 -99.200 -91.000 PHE 126 1.000 8.620 2.570 20.253 -99.200 -91.000 TRP 132 1.040 -1.656 -1.018 0.392 -99.200 -91.000 TRP6 132 1.020 -2.224 -3.127 1.240 -99.200 -91.000 TYR 173 0.840 -14.029 -7.106 26.205 -99.200 -91.000 PHE 175 1.000 -3.337 -2.543 21.889 -99.200 -91.000 TYR 179 0.840 4.680 8.108 18.176 -99.200 -91.000 HIS 195 0.900 -0.154 -2.948 18.349 -99.200 -91.000 HIS 198 0.900 10.943 -9.169 16.091 -99.200 -91.000 TYR 199 0.840 9.370 -11.902 24.109 -99.200 -91.000 TRP 203 1.040 8.087 -9.822 13.401 -99.200 -91.000 TRP6 203 1.020 7.838 -7.548 13.953 -99.200 -91.000 TYR 204 0.840 4.634 -14.132 19.205 -99.200 -91.000 TRP 211 1.040 -12.159 2.936 19.052 -99.200 -91.000 TRP6 211 1.020 -12.195 4.870 20.353 -99.200 -91.000 HIS 220 0.900 -7.923 13.364 21.004 -99.200 -91.000 PHE 221 1.000 -1.912 8.878 23.530 -99.200 -91.000 TYR 224 0.840 -3.875 0.457 17.251 -99.200 -91.000 TYR 230 0.840 -12.106 -9.881 21.466 -99.200 -91.000 TRP 233 1.040 -15.482 -15.445 19.914 -99.200 -91.000 TRP6 233 1.020 -15.069 -14.191 17.979 -99.200 -91.000 PHE 252 1.000 -15.571 -12.192 23.867 -99.200 -91.000