============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 4 1.040 50.978 3.001 15.744 -99.200 -91.000 TRP6 4 1.020 49.541 4.007 14.160 -99.200 -91.000 TYR 6 0.840 46.104 -0.788 15.023 -99.200 -91.000 TYR 7 0.840 40.178 0.928 21.385 -99.200 -91.000 TYR 30 0.840 39.081 6.178 17.357 -99.200 -91.000 TYR 32 0.840 36.301 7.904 13.491 -99.200 -91.000 TYR 40 0.840 47.644 15.514 15.984 -99.200 -91.000 PHE 43 1.000 42.766 11.679 22.000 -99.200 -91.000 HIS 65 0.900 52.351 14.478 7.769 -99.200 -91.000 PHE 66 1.000 47.506 11.217 13.045 -99.200 -91.000 TYR 75 0.840 34.399 15.722 16.054 -99.200 -91.000 HIS 76 0.900 33.246 16.950 24.789 -99.200 -91.000 PHE 77 1.000 34.617 9.036 27.679 -99.200 -91.000 TYR 95 0.840 34.344 5.191 9.800 -99.200 -91.000 TYR 101 0.840 21.846 8.306 1.308 -99.200 -91.000 PHE 115 1.000 18.117 4.148 1.873 -99.200 -91.000 PHE 128 1.000 30.994 4.923 14.697 -99.200 -91.000 TYR 129 0.840 21.183 1.469 17.816 -99.200 -91.000 HIS 136 0.900 19.462 -5.966 29.204 -99.200 -91.000 TRP 144 1.040 7.218 -5.488 22.216 -99.200 -91.000 TRP6 144 1.020 9.445 -5.469 21.419 -99.200 -91.000 TYR 165 0.840 17.473 13.389 22.780 -99.200 -91.000 HIS 167 0.900 10.879 12.763 15.177 -99.200 -91.000 TYR 171 0.840 21.603 11.317 18.703 -99.200 -91.000 HIS 177 0.900 19.120 6.765 15.743 -99.200 -91.000 HIS 181 0.900 14.123 -7.761 11.147 -99.200 -91.000 PHE 183 1.000 12.549 -11.894 9.834 -99.200 -91.000 TYR 189 0.840 21.811 -3.655 15.452 -99.200 -91.000 PHE 192 1.000 33.889 1.707 16.519 -99.200 -91.000 HIS 194 0.900 32.691 7.352 18.363 -99.200 -91.000 PHE 197 1.000 28.816 9.005 19.556 -99.200 -91.000 TYR 219 0.840 15.329 -3.756 13.996 -99.200 -91.000 TYR 221 0.840 12.783 -6.859 18.047 -99.200 -91.000 HIS 223 0.900 12.166 -14.965 15.110 -99.200 -91.000 TRP 228 1.040 7.533 -3.466 13.434 -99.200 -91.000 TRP6 228 1.020 9.621 -4.382 12.799 -99.200 -91.000 TYR 229 0.840 11.008 -9.600 14.427 -99.200 -91.000 PHE 236 1.000 13.134 -15.228 6.131 -99.200 -91.000