============================================================================= 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 49.926 -35.494 -70.233 -99.200 -91.000 PHE 21 1.000 47.048 -34.331 -64.091 -99.200 -91.000 PHE 50 1.000 46.430 -30.741 -67.336 -99.200 -91.000 PHE 52 1.000 48.292 -25.513 -60.588 -99.200 -91.000 PHE 59 1.000 47.142 -30.591 -55.659 -99.200 -91.000 TYR 63 0.840 43.210 -25.418 -44.437 -99.200 -91.000 TYR 66 0.840 30.877 -21.982 -42.620 -99.200 -91.000 TYR 73 0.840 28.047 -31.505 -43.675 -99.200 -91.000 PHE 74 1.000 32.093 -27.930 -45.610 -99.200 -91.000 PHE 78 1.000 37.892 -32.327 -40.197 -99.200 -91.000 PHE 82 1.000 35.386 -32.030 -45.785 -99.200 -91.000 TYR 84 0.840 35.848 -32.227 -53.009 -99.200 -91.000 TYR 90 0.840 36.400 -27.495 -67.222 -99.200 -91.000 PHE 108 1.000 42.263 -30.141 -41.619 -99.200 -91.000 PHE 114 1.000 40.959 -32.100 -62.489 -99.200 -91.000 TYR 137 0.840 30.336 -13.305 -53.434 -99.200 -91.000 TYR 141 0.840 21.734 -26.328 -52.643 -99.200 -91.000 PHE 155 1.000 39.753 -21.872 -65.279 -99.200 -91.000 HIS 162 0.900 37.060 -12.710 -66.942 -99.200 -91.000 PHE 163 1.000 36.571 -22.125 -71.235 -99.200 -91.000 TYR 165 0.840 35.446 -24.726 -63.216 -99.200 -91.000 HIS 166 0.900 26.360 -25.340 -62.801 -99.200 -91.000 TYR 171 0.840 31.466 -29.235 -50.494 -99.200 -91.000 TYR 183 0.840 21.000 -20.087 -50.905 -99.200 -91.000 HIS 184 0.900 26.146 -21.542 -45.676 -99.200 -91.000 PHE 185 1.000 24.884 -16.363 -51.427 -99.200 -91.000 HIS 188 0.900 35.283 -20.764 -52.443 -99.200 -91.000 TYR 196 0.840 58.048 -28.279 -60.011 -99.200 -91.000 HIS 200 0.900 46.311 -17.380 -48.836 -99.200 -91.000 HIS 207 0.900 22.788 -16.718 -43.742 -99.200 -91.000