============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 89.040 109.213 14.569 -99.200 -91.000 TYR 12 0.840 98.375 106.509 10.682 -99.200 -91.000 TRP 14 1.040 92.450 98.226 6.729 -99.200 -91.000 TRP6 14 1.020 91.388 99.808 5.357 -99.200 -91.000 HIS 19 0.900 82.504 103.140 -12.639 -99.200 -91.000 HIS 23 0.900 78.308 94.092 -12.139 -99.200 -91.000 TYR 24 0.840 76.304 90.357 -7.522 -99.200 -91.000 TRP 26 1.040 74.023 91.495 1.633 -99.200 -91.000 TRP6 26 1.020 74.751 89.408 0.827 -99.200 -91.000 PHE 48 1.000 72.946 100.946 -3.946 -99.200 -91.000 HIS 50 0.900 68.160 99.327 3.787 -99.200 -91.000 HIS 59 0.900 53.953 94.667 2.190 -99.200 -91.000 PHE 62 1.000 59.822 107.845 0.107 -99.200 -91.000 TYR 70 0.840 70.493 105.342 -6.835 -99.200 -91.000 HIS 79 0.900 71.585 88.517 -10.340 -99.200 -91.000 HIS 85 0.900 72.513 87.797 11.446 -99.200 -91.000 HIS 92 0.900 66.593 87.282 22.101 -99.200 -91.000 TRP 106 1.040 62.373 97.583 11.735 -99.200 -91.000 TRP6 106 1.020 62.202 98.872 9.771 -99.200 -91.000 HIS 109 0.900 55.820 96.145 9.582 -99.200 -91.000 TRP 114 1.040 55.921 83.376 16.484 -99.200 -91.000 TRP6 114 1.020 56.430 84.364 18.574 -99.200 -91.000 PHE 115 1.000 47.806 85.003 14.112 -99.200 -91.000 HIS 117 0.900 54.636 81.510 7.775 -99.200 -91.000 HIS 119 0.900 48.814 74.026 12.775 -99.200 -91.000 TYR 143 0.840 54.396 86.461 -1.380 -99.200 -91.000 TRP 155 1.040 60.561 90.708 -12.361 -99.200 -91.000 TRP6 155 1.020 59.640 90.019 -10.295 -99.200 -91.000 HIS 164 0.900 69.195 85.652 -6.653 -99.200 -91.000 TRP 166 1.040 70.967 83.407 -1.399 -99.200 -91.000 TRP6 166 1.020 72.786 84.596 -2.286 -99.200 -91.000 PHE 168 1.000 77.613 84.210 7.174 -99.200 -91.000 PHE 174 1.000 80.061 75.678 4.578 -99.200 -91.000 TYR 192 0.840 55.332 83.073 0.262 -99.200 -91.000