============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 13 0.840 45.239 -44.253 48.566 -99.200 -91.000 TYR 23 0.840 42.827 -55.919 43.761 -99.200 -91.000 HIS 25 0.900 38.711 -51.222 45.361 -99.200 -91.000 TRP 41 1.040 39.180 -49.080 36.877 -99.200 -91.000 TRP6 41 1.020 39.123 -47.083 38.173 -99.200 -91.000 HIS 52 0.900 27.741 -48.898 28.794 -99.200 -91.000 TYR 55 0.840 17.784 -54.147 40.769 -99.200 -91.000 TYR 68 0.840 39.852 -47.150 30.903 -99.200 -91.000 TYR 78 0.840 25.479 -58.043 47.153 -99.200 -91.000 TRP 89 1.040 8.066 -40.973 45.320 -99.200 -91.000 TRP6 89 1.020 7.934 -40.101 43.115 -99.200 -91.000 TYR 101 0.840 49.019 -39.937 48.184 -99.200 -91.000 TRP 110 1.040 24.633 -39.651 34.851 -99.200 -91.000 TRP6 110 1.020 23.774 -38.151 36.465 -99.200 -91.000 PHE 112 1.000 18.130 -43.293 36.310 -99.200 -91.000 HIS 128 0.900 17.041 -41.602 28.136 -99.200 -91.000 PHE 129 1.000 19.352 -38.253 34.075 -99.200 -91.000 PHE 131 1.000 22.005 -34.104 31.911 -99.200 -91.000 HIS 132 0.900 25.661 -37.968 24.581 -99.200 -91.000 PHE 134 1.000 27.365 -33.171 32.183 -99.200 -91.000 PHE 148 1.000 34.588 -26.412 38.134 -99.200 -91.000 PHE 176 1.000 16.971 -35.330 35.793 -99.200 -91.000 TYR 177 0.840 15.451 -29.041 40.375 -99.200 -91.000 HIS 181 0.900 6.574 -43.877 42.416 -99.200 -91.000 TRP 183 1.040 8.206 -51.896 44.960 -99.200 -91.000 TRP6 183 1.020 8.547 -53.370 43.126 -99.200 -91.000 PHE 192 1.000 19.235 -48.919 38.774 -99.200 -91.000 PHE 196 1.000 30.128 -43.023 35.638 -99.200 -91.000 PHE 198 1.000 35.855 -43.488 33.891 -99.200 -91.000 PHE 213 1.000 23.859 -44.265 38.905 -99.200 -91.000 PHE 214 1.000 25.013 -40.110 45.113 -99.200 -91.000 PHE 234 1.000 28.415 -45.125 52.120 -99.200 -91.000