============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 101.307 29.024 63.525 -99.200 -91.000 TYR 30 0.840 90.225 51.233 63.329 -99.200 -91.000 TYR 36 0.840 102.616 51.775 68.246 -99.200 -91.000 TYR 37 0.840 95.965 49.121 70.975 -99.200 -91.000 PHE 62 1.000 107.579 42.814 69.447 -99.200 -91.000 TRP 72 1.040 107.720 57.313 70.042 -99.200 -91.000 TRP6 72 1.020 106.885 55.124 69.870 -99.200 -91.000 TYR 78 0.840 113.905 46.346 71.862 -99.200 -91.000 PHE 91 1.000 108.837 39.370 87.227 -99.200 -91.000 PHE 97 1.000 114.571 46.649 82.332 -99.200 -91.000 TYR 112 0.840 94.973 45.829 81.491 -99.200 -91.000 TYR 113 0.840 89.815 53.663 76.205 -99.200 -91.000 HIS 115 0.900 86.833 59.007 84.105 -99.200 -91.000 PHE 117 1.000 94.675 51.210 82.589 -99.200 -91.000 HIS 118 0.900 95.419 59.966 84.619 -99.200 -91.000 PHE 134 1.000 95.666 46.793 88.930 -99.200 -91.000 TYR 136 0.840 87.235 43.360 83.308 -99.200 -91.000 HIS 137 0.900 81.510 38.841 87.013 -99.200 -91.000 TYR 144 0.840 90.087 34.946 81.505 -99.200 -91.000 PHE 149 1.000 88.296 39.256 95.312 -99.200 -91.000 TYR 169 0.840 85.125 39.687 90.642 -99.200 -91.000 TYR 175 0.840 100.454 39.748 86.224 -99.200 -91.000 PHE 176 1.000 101.659 48.639 88.594 -99.200 -91.000 TYR 177 0.840 105.034 40.976 90.507 -99.200 -91.000 TYR 205 0.840 105.244 39.710 95.951 -99.200 -91.000 TYR 220 0.840 89.013 51.088 84.835 -99.200 -91.000 TRP 222 1.040 92.254 42.432 80.915 -99.200 -91.000 TRP6 222 1.020 91.759 40.195 81.567 -99.200 -91.000 HIS 228 0.900 92.453 32.991 64.193 -99.200 -91.000 PHE 237 1.000 85.813 48.542 73.794 -99.200 -91.000 TYR 257 0.840 102.641 67.835 73.020 -99.200 -91.000 TRP 261 1.040 107.561 61.217 80.260 -99.200 -91.000 TRP6 261 1.020 106.607 59.053 80.186 -99.200 -91.000 TYR 279 0.840 99.791 56.918 64.859 -99.200 -91.000 TYR 282 0.840 95.236 61.620 67.348 -99.200 -91.000 TYR 292 0.840 89.693 71.138 78.126 -99.200 -91.000