============================================================================= 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 13.874 39.962 52.693 -99.200 -91.000 TRP6 14 1.020 15.084 41.865 52.008 -99.200 -91.000 PHE 19 1.000 9.769 28.099 68.151 -99.200 -91.000 TRP 37 1.040 -0.714 43.771 57.229 -99.200 -91.000 TRP6 37 1.020 -2.522 42.278 57.201 -99.200 -91.000 HIS 43 0.900 3.198 24.496 51.434 -99.200 -91.000 TYR 47 0.840 -1.552 19.187 51.729 -99.200 -91.000 TRP 49 1.040 0.757 15.616 53.909 -99.200 -91.000 TRP6 49 1.020 2.511 16.945 53.041 -99.200 -91.000 PHE 53 1.000 0.204 24.169 62.569 -99.200 -91.000 HIS 65 0.900 23.432 34.026 60.864 -99.200 -91.000 TYR 70 0.840 15.238 35.093 73.053 -99.200 -91.000 TYR 84 0.840 -6.830 38.546 57.563 -99.200 -91.000 HIS 86 0.900 -6.566 33.710 46.634 -99.200 -91.000 TYR 89 0.840 -4.056 26.226 50.111 -99.200 -91.000 TRP 91 1.040 -7.709 22.580 50.860 -99.200 -91.000 TRP6 91 1.020 -8.628 20.459 51.260 -99.200 -91.000 PHE 110 1.000 10.095 48.119 59.545 -99.200 -91.000 TYR 113 0.840 21.263 42.781 63.550 -99.200 -91.000 HIS 115 0.900 14.397 47.986 55.855 -99.200 -91.000 TYR 132 0.840 16.229 38.202 33.329 -99.200 -91.000 TRP 139 1.040 16.850 29.589 60.064 -99.200 -91.000 TRP6 139 1.020 15.341 31.397 59.851 -99.200 -91.000 PHE 177 1.000 8.492 32.087 40.434 -99.200 -91.000 TYR 181 0.840 21.775 26.489 38.955 -99.200 -91.000 PHE 200 1.000 12.898 32.859 42.856 -99.200 -91.000 PHE 206 1.000 15.095 47.528 35.093 -99.200 -91.000 TRP 210 1.040 17.941 42.770 47.850 -99.200 -91.000 TRP6 210 1.020 18.719 40.745 46.878 -99.200 -91.000 TYR 211 0.840 10.883 45.479 43.565 -99.200 -91.000 TRP 218 1.040 3.456 22.736 43.682 -99.200 -91.000 TRP6 218 1.020 4.125 21.191 42.025 -99.200 -91.000 TYR 228 0.840 13.612 21.828 36.582 -99.200 -91.000 PHE 230 1.000 6.577 23.369 39.660 -99.200 -91.000 TYR 231 0.840 10.531 28.684 44.285 -99.200 -91.000 HIS 233 0.900 3.657 35.442 38.670 -99.200 -91.000 PHE 235 1.000 1.528 41.944 38.972 -99.200 -91.000 TRP 240 1.040 -6.519 37.257 49.065 -99.200 -91.000 TRP6 240 1.020 -4.657 36.643 50.377 -99.200 -91.000 PHE 248 1.000 -10.204 41.812 56.952 -99.200 -91.000