============================================================================= 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 99.886 28.736 64.165 -99.200 -91.000 TYR 30 0.840 89.211 51.452 63.393 -99.200 -91.000 TYR 36 0.840 101.480 51.982 68.102 -99.200 -91.000 TYR 37 0.840 94.903 49.345 71.009 -99.200 -91.000 PHE 62 1.000 106.539 42.859 69.152 -99.200 -91.000 TRP 72 1.040 106.495 57.560 70.006 -99.200 -91.000 TRP6 72 1.020 105.685 55.393 69.842 -99.200 -91.000 TYR 78 0.840 112.823 46.742 71.656 -99.200 -91.000 PHE 91 1.000 107.861 39.707 87.056 -99.200 -91.000 PHE 97 1.000 113.502 46.991 82.203 -99.200 -91.000 TYR 112 0.840 94.086 46.167 81.328 -99.200 -91.000 TYR 113 0.840 88.638 53.826 76.259 -99.200 -91.000 HIS 115 0.900 85.668 59.260 84.159 -99.200 -91.000 PHE 117 1.000 93.523 51.601 82.565 -99.200 -91.000 HIS 118 0.900 96.777 59.609 85.367 -99.200 -91.000 PHE 134 1.000 94.488 47.025 88.718 -99.200 -91.000 TYR 136 0.840 86.355 43.474 83.251 -99.200 -91.000 HIS 137 0.900 80.808 38.969 86.852 -99.200 -91.000 TYR 144 0.840 90.192 35.009 81.164 -99.200 -91.000 PHE 149 1.000 87.496 39.711 95.226 -99.200 -91.000 TYR 169 0.840 84.257 39.857 90.541 -99.200 -91.000 TYR 175 0.840 99.558 39.925 86.122 -99.200 -91.000 PHE 176 1.000 100.694 48.770 88.436 -99.200 -91.000 TYR 177 0.840 104.146 41.257 90.377 -99.200 -91.000 TYR 205 0.840 104.510 39.983 95.910 -99.200 -91.000 TYR 220 0.840 87.974 51.404 84.865 -99.200 -91.000 TRP 222 1.040 91.456 42.697 80.802 -99.200 -91.000 TRP6 222 1.020 90.997 40.540 81.548 -99.200 -91.000 HIS 228 0.900 91.122 32.774 64.414 -99.200 -91.000 PHE 237 1.000 84.859 48.717 73.884 -99.200 -91.000 TYR 257 0.840 101.115 68.187 72.997 -99.200 -91.000 TRP 261 1.040 106.380 61.508 80.251 -99.200 -91.000 TRP6 261 1.020 105.490 59.327 80.350 -99.200 -91.000 TYR 279 0.840 98.374 57.185 64.728 -99.200 -91.000 TYR 282 0.840 93.928 61.778 67.384 -99.200 -91.000 TYR 292 0.840 88.225 71.177 78.199 -99.200 -91.000