============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 1 0.840 42.340 10.951 33.998 -99.200 -91.000 TRP 6 1.040 29.628 2.346 21.606 -99.200 -91.000 TRP6 6 1.020 29.281 4.647 21.199 -99.200 -91.000 TRP 20 1.040 35.675 2.935 17.314 -99.200 -91.000 TRP6 20 1.020 33.593 3.450 18.337 -99.200 -91.000 TYR 57 0.840 15.906 -0.552 23.109 -99.200 -91.000 TYR 59 0.840 8.893 7.209 27.220 -99.200 -91.000 HIS 79 0.900 17.737 20.771 5.053 -99.200 -91.000 TYR 92 0.840 13.779 4.930 12.040 -99.200 -91.000 TRP 107 1.040 -3.947 -1.417 10.018 -99.200 -91.000 TRP6 107 1.020 -1.789 -1.658 10.959 -99.200 -91.000 HIS 117 0.900 5.956 -7.494 16.398 -99.200 -91.000 TRP 126 1.040 6.305 -3.478 21.584 -99.200 -91.000 TRP6 126 1.020 5.550 -5.722 21.404 -99.200 -91.000 PHE 142 1.000 1.043 -5.464 24.394 -99.200 -91.000 PHE 145 1.000 -4.204 -7.538 16.062 -99.200 -91.000 PHE 146 1.000 0.350 -9.195 14.859 -99.200 -91.000 TYR 182 0.840 13.873 -15.817 12.017 -99.200 -91.000 TYR 183 0.840 18.087 -7.233 18.265 -99.200 -91.000 TYR 185 0.840 15.672 -0.794 12.075 -99.200 -91.000 PHE 189 1.000 12.911 -7.746 3.891 -99.200 -91.000 PHE 201 1.000 3.885 -5.021 12.350 -99.200 -91.000 TRP 208 1.040 13.527 0.755 -0.927 -99.200 -91.000 TRP6 208 1.020 13.460 1.258 -3.245 -99.200 -91.000 TRP 219 1.040 19.252 -13.540 5.225 -99.200 -91.000 TRP6 219 1.020 17.742 -11.731 5.027 -99.200 -91.000 PHE 228 1.000 9.763 -9.049 0.255 -99.200 -91.000 HIS 247 0.900 4.523 7.548 5.886 -99.200 -91.000 HIS 254 0.900 17.964 3.143 15.622 -99.200 -91.000 HIS 265 0.900 35.685 12.635 27.615 -99.200 -91.000 HIS 272 0.900 40.421 12.781 16.429 -99.200 -91.000 PHE 277 1.000 39.068 4.734 13.213 -99.200 -91.000 PHE 288 1.000 36.329 -0.072 13.019 -99.200 -91.000 PHE 291 1.000 29.332 6.082 11.018 -99.200 -91.000 PHE 300 1.000 27.873 4.146 15.818 -99.200 -91.000 TYR 316 0.840 13.014 12.064 27.930 -99.200 -91.000 TYR 319 0.840 16.681 12.796 18.659 -99.200 -91.000 TYR 324 0.840 8.435 7.246 19.312 -99.200 -91.000 PHE 341 1.000 16.463 0.189 33.498 -99.200 -91.000