============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 12 0.840 152.910 13.979 1.027 -99.200 -91.000 TYR 28 0.840 147.928 31.486 7.387 -99.200 -91.000 TYR 32 0.840 146.251 36.482 13.937 -99.200 -91.000 TYR 34 0.840 157.668 37.408 13.353 -99.200 -91.000 HIS 35 0.900 149.228 41.803 9.945 -99.200 -91.000 PHE 38 1.000 151.639 47.156 11.170 -99.200 -91.000 TYR 40 0.840 153.811 47.739 21.926 -99.200 -91.000 PHE 41 1.000 157.704 47.215 18.723 -99.200 -91.000 PHE 54 1.000 162.380 42.428 11.503 -99.200 -91.000 PHE 55 1.000 158.896 42.929 15.120 -99.200 -91.000 HIS 65 0.900 159.127 31.920 5.589 -99.200 -91.000 TYR 72 0.840 156.488 19.268 -0.780 -99.200 -91.000 PHE 92 1.000 153.969 41.909 21.217 -99.200 -91.000 HIS 94 0.900 161.002 43.219 29.649 -99.200 -91.000 HIS 102 0.900 159.338 41.369 25.807 -99.200 -91.000 HIS 122 0.900 165.473 16.371 7.411 -99.200 -91.000 PHE 136 1.000 158.924 22.204 0.257 -99.200 -91.000 TYR 141 0.840 159.703 26.072 4.270 -99.200 -91.000 TYR 155 0.840 167.620 43.151 12.576 -99.200 -91.000 HIS 166 0.900 170.483 59.901 20.351 -99.200 -91.000 TRP 169 1.040 164.127 58.170 17.057 -99.200 -91.000 TRP6 169 1.020 165.810 59.387 15.924 -99.200 -91.000 HIS 170 0.900 171.820 56.476 15.203 -99.200 -91.000 PHE 171 1.000 168.161 47.946 15.741 -99.200 -91.000 HIS 177 0.900 165.576 55.696 6.775 -99.200 -91.000