============================================================================= 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 60.971 56.801 58.604 -99.200 -91.000 TYR 30 0.840 74.278 41.482 72.632 -99.200 -91.000 TYR 36 0.840 64.733 47.262 79.600 -99.200 -91.000 TYR 37 0.840 71.363 49.768 76.530 -99.200 -91.000 PHE 62 1.000 58.770 54.199 74.601 -99.200 -91.000 TRP 72 1.040 61.901 46.600 86.764 -99.200 -91.000 TRP6 72 1.020 62.036 47.486 84.590 -99.200 -91.000 TYR 78 0.840 54.659 55.393 81.077 -99.200 -91.000 PHE 91 1.000 63.412 70.727 81.114 -99.200 -91.000 PHE 97 1.000 57.828 63.685 86.627 -99.200 -91.000 TYR 112 0.840 75.329 59.865 78.502 -99.200 -91.000 TYR 113 0.840 79.732 50.180 80.511 -99.200 -91.000 HIS 115 0.900 86.441 52.935 87.503 -99.200 -91.000 PHE 117 1.000 77.224 57.694 83.130 -99.200 -91.000 HIS 118 0.900 76.018 55.167 91.533 -99.200 -91.000 PHE 134 1.000 77.684 65.318 83.040 -99.200 -91.000 TYR 136 0.840 82.600 61.248 74.698 -99.200 -91.000 HIS 137 0.900 88.205 65.666 70.825 -99.200 -91.000 TYR 144 0.840 77.559 64.962 68.118 -99.200 -91.000 PHE 149 1.000 85.065 73.660 77.507 -99.200 -91.000 TYR 169 0.840 86.434 68.870 74.545 -99.200 -91.000 TYR 175 0.840 70.714 68.158 77.810 -99.200 -91.000 PHE 176 1.000 72.156 65.129 86.250 -99.200 -91.000 TYR 177 0.840 68.364 71.868 82.508 -99.200 -91.000 TYR 205 0.840 69.891 76.862 84.189 -99.200 -91.000 TYR 220 0.840 83.138 58.579 82.303 -99.200 -91.000 TRP 222 1.040 76.973 60.859 74.451 -99.200 -91.000 TRP6 222 1.020 77.270 62.562 72.841 -99.200 -91.000 HIS 228 0.900 69.283 53.051 58.663 -99.200 -91.000 PHE 237 1.000 81.304 50.473 73.977 -99.200 -91.000 TYR 257 0.840 69.905 42.165 94.669 -99.200 -91.000 TRP 261 1.040 66.369 52.693 94.835 -99.200 -91.000 TRP6 261 1.020 66.740 53.711 92.744 -99.200 -91.000 TYR 279 0.840 67.361 41.036 81.159 -99.200 -91.000 TYR 282 0.840 73.231 39.678 84.657 -99.200 -91.000 TYR 292 0.840 83.797 41.948 95.439 -99.200 -91.000