============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 4 0.840 73.723 67.464 20.838 -99.200 -91.000 PHE 20 1.000 66.840 54.188 10.024 -99.200 -91.000 TRP 39 1.040 65.907 79.320 5.899 -99.200 -91.000 TRP6 39 1.020 66.013 81.582 5.319 -99.200 -91.000 HIS 43 0.900 76.569 82.164 -7.277 -99.200 -91.000 HIS 45 0.900 69.417 84.687 -3.359 -99.200 -91.000 TRP 49 1.040 66.315 73.046 -1.872 -99.200 -91.000 TRP6 49 1.020 68.217 74.439 -1.466 -99.200 -91.000 TYR 54 0.840 59.188 57.365 -2.822 -99.200 -91.000 PHE 70 1.000 68.107 45.477 -7.048 -99.200 -91.000 PHE 86 1.000 64.803 50.784 0.052 -99.200 -91.000 TYR 96 0.840 63.757 65.313 -8.117 -99.200 -91.000 TYR 109 0.840 76.221 66.405 -6.707 -99.200 -91.000 PHE 115 1.000 67.205 70.178 1.082 -99.200 -91.000 PHE 118 1.000 66.142 65.520 6.838 -99.200 -91.000 TRP 123 1.040 72.768 63.756 16.358 -99.200 -91.000 TRP6 123 1.020 73.013 61.421 16.116 -99.200 -91.000 TRP 131 1.040 73.901 61.803 0.776 -99.200 -91.000 TRP6 131 1.020 74.695 63.994 1.224 -99.200 -91.000 TYR 138 0.840 75.276 58.234 -9.998 -99.200 -91.000 PHE 142 1.000 65.619 54.374 -7.680 -99.200 -91.000 HIS 159 0.900 67.379 54.462 2.388 -99.200 -91.000 TYR 162 0.840 61.885 59.552 16.158 -99.200 -91.000 PHE 163 1.000 69.705 57.371 16.518 -99.200 -91.000