============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 37.063 6.001 9.665 -99.200 -91.000 TRP6 14 1.020 34.951 7.003 9.841 -99.200 -91.000 TRP 35 1.040 48.855 16.636 10.061 -99.200 -91.000 TRP6 35 1.020 51.057 15.917 10.136 -99.200 -91.000 HIS 41 0.900 53.940 -3.295 11.724 -99.200 -91.000 PHE 43 1.000 55.396 4.109 7.378 -99.200 -91.000 TRP 49 1.040 62.814 6.149 3.498 -99.200 -91.000 TRP6 49 1.020 61.252 6.142 5.254 -99.200 -91.000 HIS 59 0.900 34.354 -0.570 -1.397 -99.200 -91.000 HIS 64 0.900 40.027 5.927 -10.978 -99.200 -91.000 TYR 82 0.840 58.489 0.487 15.816 -99.200 -91.000 HIS 89 0.900 56.247 3.423 22.887 -99.200 -91.000 HIS 97 0.900 54.040 17.505 -2.149 -99.200 -91.000 HIS 105 0.900 31.867 8.245 -1.919 -99.200 -91.000 PHE 116 1.000 34.571 10.885 24.420 -99.200 -91.000 PHE 123 1.000 36.289 1.577 30.974 -99.200 -91.000 PHE 126 1.000 30.931 -6.317 20.419 -99.200 -91.000 TRP 132 1.040 40.897 -2.690 0.423 -99.200 -91.000 TRP6 132 1.020 41.488 -0.580 1.264 -99.200 -91.000 TYR 173 0.840 53.242 3.431 26.169 -99.200 -91.000 PHE 175 1.000 42.818 -1.211 22.061 -99.200 -91.000 TYR 179 0.840 34.841 -11.723 18.120 -99.200 -91.000 HIS 195 0.900 39.511 -0.670 18.422 -99.200 -91.000 HIS 198 0.900 28.307 5.430 16.464 -99.200 -91.000 TYR 199 0.840 30.139 8.218 24.430 -99.200 -91.000 TRP 203 1.040 31.323 6.062 13.697 -99.200 -91.000 TRP6 203 1.020 31.530 3.789 14.177 -99.200 -91.000 TYR 204 0.840 34.659 10.491 19.421 -99.200 -91.000 TRP 211 1.040 54.192 -5.797 14.098 -99.200 -91.000 TRP6 211 1.020 55.730 -6.607 12.577 -99.200 -91.000 HIS 220 0.900 47.542 -17.053 21.249 -99.200 -91.000 PHE 221 1.000 41.386 -12.549 23.656 -99.200 -91.000 TYR 224 0.840 43.258 -4.158 17.387 -99.200 -91.000 TYR 230 0.840 51.550 6.191 21.508 -99.200 -91.000 TRP 233 1.040 54.991 11.782 20.064 -99.200 -91.000 TRP6 233 1.020 54.552 10.527 18.146 -99.200 -91.000 PHE 252 1.000 55.082 8.400 23.751 -99.200 -91.000