============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 1 0.900 127.310 36.360 132.581 -99.200 -91.000 TYR 2 0.840 133.452 39.798 135.371 -99.200 -91.000 TRP 4 1.040 133.002 43.666 141.220 -99.200 -91.000 TRP6 4 1.020 135.346 44.032 141.233 -99.200 -91.000 TRP 13 1.040 127.758 37.103 148.583 -99.200 -91.000 TRP6 13 1.020 128.098 38.808 146.969 -99.200 -91.000 TRP 22 1.040 122.784 35.218 146.347 -99.200 -91.000 TRP6 22 1.020 123.162 33.112 147.362 -99.200 -91.000 TYR 27 0.840 124.274 41.450 131.552 -99.200 -91.000 PHE 39 1.000 123.785 42.769 139.946 -99.200 -91.000 TYR 60 0.840 134.518 45.477 146.632 -99.200 -91.000 TRP 61 1.040 139.837 39.450 147.618 -99.200 -91.000 TRP6 61 1.020 141.695 38.340 146.661 -99.200 -91.000 TYR 67 0.840 134.646 36.019 132.048 -99.200 -91.000 HIS 68 0.900 132.357 39.336 129.784 -99.200 -91.000 PHE 74 1.000 137.244 49.127 143.093 -99.200 -91.000 TYR 75 0.840 131.629 55.970 140.946 -99.200 -91.000 TRP 88 1.040 122.872 56.788 154.620 -99.200 -91.000 TRP6 88 1.020 124.626 56.899 153.041 -99.200 -91.000 TRP 95 1.040 126.581 56.590 145.743 -99.200 -91.000 TRP6 95 1.020 127.576 54.704 146.761 -99.200 -91.000 PHE 96 1.000 133.982 60.150 148.260 -99.200 -91.000 TYR 99 0.840 141.542 52.126 140.064 -99.200 -91.000 HIS 102 0.900 142.612 56.813 133.432 -99.200 -91.000 PHE 105 1.000 143.434 55.108 124.821 -99.200 -91.000 TRP 111 1.040 139.720 47.351 128.102 -99.200 -91.000 TRP6 111 1.020 138.756 49.461 128.594 -99.200 -91.000 PHE 119 1.000 140.330 44.102 139.814 -99.200 -91.000 TYR 131 0.840 130.358 52.951 161.280 -99.200 -91.000 TYR 132 0.840 133.508 57.424 154.090 -99.200 -91.000 HIS 142 0.900 131.151 41.451 126.843 -99.200 -91.000 PHE 152 1.000 127.085 49.870 133.649 -99.200 -91.000 TYR 153 0.840 129.621 41.548 134.601 -99.200 -91.000 PHE 175 1.000 126.813 55.522 140.636 -99.200 -91.000 TYR 179 0.840 127.969 55.373 135.527 -99.200 -91.000 TYR 191 0.840 135.481 44.088 120.268 -99.200 -91.000 TYR 192 0.840 135.952 50.120 111.514 -99.200 -91.000 TYR 198 0.840 136.385 54.046 128.406 -99.200 -91.000 PHE 206 1.000 138.573 63.710 147.324 -99.200 -91.000