============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 19 0.900 -1.047 -23.234 -69.640 -99.200 -91.000 PHE 21 1.000 3.368 -18.317 -69.540 -99.200 -91.000 PHE 50 1.000 4.033 -21.576 -66.005 -99.200 -91.000 PHE 52 1.000 5.373 -14.835 -59.967 -99.200 -91.000 PHE 59 1.000 6.288 -10.494 -65.677 -99.200 -91.000 TYR 63 0.840 13.956 -0.401 -62.479 -99.200 -91.000 TYR 66 0.840 26.683 -1.700 -62.471 -99.200 -91.000 TYR 73 0.840 26.717 -3.373 -71.889 -99.200 -91.000 PHE 74 1.000 23.373 -4.332 -67.527 -99.200 -91.000 PHE 78 1.000 17.986 2.540 -70.554 -99.200 -91.000 PHE 82 1.000 19.306 -3.737 -70.685 -99.200 -91.000 TYR 84 0.840 17.016 -10.169 -70.514 -99.200 -91.000 TYR 90 0.840 14.167 -23.796 -65.028 -99.200 -91.000 PHE 108 1.000 14.167 2.084 -67.143 -99.200 -91.000 PHE 114 1.000 10.116 -18.188 -68.762 -99.200 -91.000 TYR 137 0.840 26.847 -12.325 -53.467 -99.200 -91.000 TYR 141 0.840 31.789 -13.619 -67.989 -99.200 -91.000 PHE 155 1.000 12.959 -21.225 -58.772 -99.200 -91.000 HIS 162 0.900 17.469 -23.811 -50.613 -99.200 -91.000 PHE 163 1.000 14.402 -27.718 -59.711 -99.200 -91.000 TYR 165 0.840 16.821 -20.470 -62.615 -99.200 -91.000 HIS 166 0.900 25.198 -22.139 -65.914 -99.200 -91.000 TYR 171 0.840 22.386 -8.994 -68.789 -99.200 -91.000 TYR 183 0.840 34.605 -11.990 -62.254 -99.200 -91.000 HIS 184 0.900 30.406 -5.844 -62.653 -99.200 -91.000 PHE 185 1.000 31.777 -11.717 -57.963 -99.200 -91.000 HIS 188 0.900 20.608 -10.192 -59.510 -99.200 -91.000 TYR 196 0.840 -4.500 -10.643 -60.043 -99.200 -91.000 HIS 200 0.900 12.128 -4.305 -53.190 -99.200 -91.000 HIS 207 0.900 35.473 -4.923 -58.964 -99.200 -91.000