============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 -6.440 -1.157 -4.226 -99.200 -91.000 TRP6 14 1.020 -7.547 -2.211 -6.039 -99.200 -91.000 PHE 19 1.000 -8.288 12.141 10.393 -99.200 -91.000 TRP 37 1.040 -8.104 -9.365 9.114 -99.200 -91.000 TRP6 37 1.020 -6.649 -9.236 10.969 -99.200 -91.000 HIS 43 0.900 7.513 4.001 7.827 -99.200 -91.000 TYR 47 0.840 12.096 5.316 13.702 -99.200 -91.000 TRP 49 1.040 12.554 10.118 15.118 -99.200 -91.000 TRP6 49 1.020 11.807 9.873 12.893 -99.200 -91.000 PHE 53 1.000 0.875 7.581 16.052 -99.200 -91.000 HIS 65 0.900 -10.941 12.177 -5.888 -99.200 -91.000 TYR 70 0.840 -18.455 12.582 6.950 -99.200 -91.000 TYR 84 0.840 -3.278 -8.480 15.290 -99.200 -91.000 HIS 86 0.900 7.444 -9.947 10.643 -99.200 -91.000 TYR 89 0.840 9.347 -1.704 12.468 -99.200 -91.000 TRP 91 1.040 12.399 -0.544 16.282 -99.200 -91.000 TRP6 91 1.020 13.949 0.600 17.654 -99.200 -91.000 PHE 110 1.000 -15.443 -5.872 0.510 -99.200 -91.000 TYR 113 0.840 -17.881 5.703 -4.687 -99.200 -91.000 HIS 115 0.900 -14.020 -5.097 -4.856 -99.200 -91.000 TYR 132 0.840 7.884 -7.504 -16.410 -99.200 -91.000 TRP 139 1.040 -5.636 11.366 0.031 -99.200 -91.000 TRP6 139 1.020 -6.304 9.159 0.600 -99.200 -91.000 TRP 146 1.040 11.797 25.891 -0.338 -99.200 -91.000 TRP6 146 1.020 13.532 24.846 -1.570 -99.200 -91.000 PHE 179 1.000 8.908 -4.074 -4.456 -99.200 -91.000 TYR 183 0.840 10.067 6.353 -14.349 -99.200 -91.000 PHE 202 1.000 5.397 -1.156 -6.858 -99.200 -91.000 PHE 208 1.000 0.347 -14.396 -16.409 -99.200 -91.000 TRP 212 1.040 -5.865 -3.118 -10.751 -99.200 -91.000 TRP6 212 1.020 -3.988 -1.841 -11.424 -99.200 -91.000 TYR 213 0.840 -2.826 -10.872 -8.040 -99.200 -91.000 TYR 228 0.840 17.114 3.846 -8.269 -99.200 -91.000 PHE 230 1.000 15.773 1.543 -0.250 -99.200 -91.000 TYR 231 0.840 7.743 1.278 -3.283 -99.200 -91.000 HIS 233 0.900 9.205 -9.681 -2.385 -99.200 -91.000 PHE 235 1.000 5.014 -15.283 -2.672 -99.200 -91.000 TRP 240 1.040 3.609 -11.715 10.704 -99.200 -91.000 TRP6 240 1.020 2.558 -9.638 10.270 -99.200 -91.000 PHE 248 1.000 -3.844 -12.872 16.722 -99.200 -91.000