============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 15 1.040 20.684 -38.149 3.311 -99.200 -91.000 TRP6 15 1.020 21.340 -38.951 5.429 -99.200 -91.000 PHE 21 1.000 13.097 -32.097 0.573 -99.200 -91.000 HIS 34 0.900 6.623 -31.823 30.717 -99.200 -91.000 HIS 51 0.900 13.132 -19.304 1.297 -99.200 -91.000 HIS 67 0.900 7.408 -24.793 7.456 -99.200 -91.000 PHE 93 1.000 6.468 -21.349 11.664 -99.200 -91.000 HIS 105 0.900 4.410 -7.057 24.532 -99.200 -91.000 PHE 110 1.000 11.442 -15.108 16.889 -99.200 -91.000 PHE 130 1.000 12.581 -37.049 13.193 -99.200 -91.000 HIS 138 0.900 21.259 -31.711 12.472 -99.200 -91.000 HIS 139 0.900 13.647 -33.475 16.226 -99.200 -91.000 PHE 140 1.000 12.822 -26.305 8.813 -99.200 -91.000 PHE 146 1.000 8.513 -31.493 3.903 -99.200 -91.000 TYR 149 0.840 4.057 -42.952 12.985 -99.200 -91.000 PHE 176 1.000 -6.036 -18.413 6.512 -99.200 -91.000 TYR 180 0.840 -7.555 -14.088 8.220 -99.200 -91.000 PHE 198 1.000 5.403 -4.981 -3.961 -99.200 -91.000 PHE 229 1.000 -0.807 -10.871 -12.410 -99.200 -91.000 TYR 246 0.840 2.645 -1.587 -15.245 -99.200 -91.000 PHE 264 1.000 -2.856 -0.624 6.390 -99.200 -91.000 PHE 266 1.000 0.073 -6.658 4.108 -99.200 -91.000 TYR 286 0.840 -1.698 8.157 4.969 -99.200 -91.000 TRP 314 1.040 10.126 -2.031 6.382 -99.200 -91.000 TRP6 314 1.020 12.375 -1.719 5.786 -99.200 -91.000 PHE 319 1.000 1.510 -19.459 13.082 -99.200 -91.000 PHE 322 1.000 -3.130 -15.076 13.799 -99.200 -91.000 PHE 335 1.000 -11.367 -24.950 6.808 -99.200 -91.000 PHE 340 1.000 -9.775 -19.262 7.918 -99.200 -91.000 HIS 348 0.900 -0.449 -28.713 -8.581 -99.200 -91.000 PHE 352 1.000 6.614 -38.312 3.109 -99.200 -91.000 PHE 359 1.000 9.940 -29.110 -1.285 -99.200 -91.000 PHE 374 1.000 3.037 -37.557 5.522 -99.200 -91.000