============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 3 0.900 -46.706 10.578 -9.262 -99.200 -91.000 PHE 20 1.000 -14.949 42.664 0.874 -99.200 -91.000 PHE 21 1.000 -17.003 47.775 3.307 -99.200 -91.000 HIS 31 0.900 2.417 48.352 11.215 -99.200 -91.000 TYR 42 0.840 -19.456 60.473 7.241 -99.200 -91.000 TRP 45 1.040 -22.469 61.908 16.472 -99.200 -91.000 TRP6 45 1.020 -23.457 63.877 17.314 -99.200 -91.000 TYR 55 0.840 -15.772 36.704 12.350 -99.200 -91.000 PHE 60 1.000 -11.617 42.350 23.614 -99.200 -91.000 TRP 67 1.040 -22.760 56.568 18.194 -99.200 -91.000 TRP6 67 1.020 -22.702 57.374 15.976 -99.200 -91.000 TYR 95 0.840 -13.846 49.857 2.121 -99.200 -91.000 PHE 109 1.000 -13.238 28.252 -9.218 -99.200 -91.000 TYR 121 0.840 -27.537 33.965 -2.936 -99.200 -91.000 TYR 149 0.840 -17.595 22.946 11.126 -99.200 -91.000 PHE 172 1.000 -12.903 11.600 9.673 -99.200 -91.000 TRP 174 1.040 -21.845 14.118 3.630 -99.200 -91.000 TRP6 174 1.020 -24.186 14.383 3.526 -99.200 -91.000 PHE 210 1.000 -9.395 40.933 0.252 -99.200 -91.000 HIS 218 0.900 -30.156 19.699 -2.805 -99.200 -91.000 HIS 240 0.900 -35.365 17.695 1.100 -99.200 -91.000 PHE 247 1.000 -35.707 25.525 7.565 -99.200 -91.000 TYR 274 0.840 -38.304 27.700 17.964 -99.200 -91.000 PHE 281 1.000 -50.154 27.163 10.742 -99.200 -91.000 HIS 289 0.900 -53.824 33.625 8.486 -99.200 -91.000 PHE 290 1.000 -48.690 34.879 6.917 -99.200 -91.000 TRP 297 1.040 -40.204 32.091 -0.718 -99.200 -91.000 TRP6 297 1.020 -39.503 32.531 1.492 -99.200 -91.000 TYR 299 0.840 -47.453 23.501 1.520 -99.200 -91.000 HIS 307 0.900 -39.091 25.134 -6.776 -99.200 -91.000 PHE 325 1.000 -26.664 66.306 3.693 -99.200 -91.000 TRP 339 1.040 -20.634 72.914 -2.320 -99.200 -91.000 TRP6 339 1.020 -19.909 71.304 -0.760 -99.200 -91.000 TRP 340 1.040 -24.036 69.242 1.285 -99.200 -91.000 TRP6 340 1.020 -22.190 67.802 1.697 -99.200 -91.000 TYR 390 0.840 -22.504 58.275 -18.156 -99.200 -91.000 HIS 393 0.900 -20.196 71.835 -13.153 -99.200 -91.000 HIS 397 0.900 -29.886 73.397 -14.230 -99.200 -91.000 PHE 400 1.000 -32.562 73.627 -6.733 -99.200 -91.000 TRP 413 1.040 -35.243 72.706 0.786 -99.200 -91.000 TRP6 413 1.020 -35.195 72.511 -1.570 -99.200 -91.000 PHE 421 1.000 -29.811 56.601 -3.076 -99.200 -91.000 PHE 427 1.000 -26.230 51.469 -15.683 -99.200 -91.000