============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 108.704 -10.136 76.437 -99.200 -91.000 TYR 20 0.840 117.662 6.836 59.584 -99.200 -91.000 TYR 28 0.840 123.489 4.569 64.182 -99.200 -91.000 HIS 29 0.900 124.889 -1.866 58.323 -99.200 -91.000 TYR 31 0.840 117.388 0.497 63.678 -99.200 -91.000 TRP 47 1.040 102.156 -5.485 76.192 -99.200 -91.000 TRP6 47 1.020 103.753 -7.236 76.091 -99.200 -91.000 PHE 53 1.000 119.563 5.437 64.844 -99.200 -91.000 TYR 57 0.840 120.422 9.638 69.274 -99.200 -91.000 HIS 61 0.900 125.668 -1.274 76.011 -99.200 -91.000 HIS 84 0.900 102.388 10.327 87.472 -99.200 -91.000 TRP 88 1.040 111.644 10.070 87.649 -99.200 -91.000 TRP6 88 1.020 112.109 9.274 85.460 -99.200 -91.000 HIS 98 0.900 122.485 3.246 83.984 -99.200 -91.000 TRP 110 1.040 102.771 7.315 82.665 -99.200 -91.000 TRP6 110 1.020 101.155 8.997 83.060 -99.200 -91.000 HIS 154 0.900 110.127 10.803 52.209 -99.200 -91.000 PHE 159 1.000 105.261 11.269 54.980 -99.200 -91.000 HIS 162 0.900 109.691 16.900 53.715 -99.200 -91.000 TRP 194 1.040 109.337 23.126 61.005 -99.200 -91.000 TRP6 194 1.020 110.282 21.246 62.074 -99.200 -91.000 TYR 195 0.840 111.713 21.495 53.813 -99.200 -91.000 HIS 207 0.900 130.783 21.155 58.666 -99.200 -91.000 TRP 230 1.040 125.060 23.876 77.985 -99.200 -91.000 TRP6 230 1.020 123.019 22.716 77.725 -99.200 -91.000 PHE 307 1.000 102.882 5.389 65.248 -99.200 -91.000 HIS 312 0.900 97.464 6.715 72.756 -99.200 -91.000 HIS 320 0.900 100.945 27.268 70.706 -99.200 -91.000 PHE 372 1.000 114.007 -9.228 87.193 -99.200 -91.000