============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 12 0.840 77.654 -8.844 -0.818 -99.200 -91.000 TRP 15 1.040 76.136 -11.164 6.427 -99.200 -91.000 TRP6 15 1.020 77.081 -9.158 5.602 -99.200 -91.000 PHE 30 1.000 69.684 -4.779 5.560 -99.200 -91.000 TYR 35 0.840 87.424 -11.645 7.848 -99.200 -91.000 PHE 37 1.000 92.603 -11.248 18.181 -99.200 -91.000 TYR 44 0.840 96.751 -0.464 8.058 -99.200 -91.000 PHE 47 1.000 86.531 -8.255 4.849 -99.200 -91.000 TYR 70 0.840 64.808 0.475 -2.312 -99.200 -91.000 TRP 74 1.040 80.855 0.996 1.924 -99.200 -91.000 TRP6 74 1.020 81.350 -1.272 2.431 -99.200 -91.000 TYR 78 0.840 91.133 1.258 7.068 -99.200 -91.000 TYR 103 0.840 46.993 13.119 -5.838 -99.200 -91.000 PHE 108 1.000 45.052 11.784 -1.798 -99.200 -91.000 PHE 124 1.000 57.450 7.230 -2.632 -99.200 -91.000 PHE 138 1.000 39.695 8.812 6.071 -99.200 -91.000 HIS 150 0.900 54.649 6.681 9.026 -99.200 -91.000 PHE 169 1.000 57.697 -11.766 -0.029 -99.200 -91.000 PHE 199 1.000 55.323 -5.115 34.327 -99.200 -91.000 TRP 201 1.040 50.092 2.855 38.367 -99.200 -91.000 TRP6 201 1.020 48.708 3.317 40.224 -99.200 -91.000 PHE 205 1.000 48.017 11.501 33.969 -99.200 -91.000 PHE 208 1.000 43.446 9.152 30.804 -99.200 -91.000 TYR 226 0.840 42.183 14.190 42.688 -99.200 -91.000 TRP 248 1.040 43.371 7.383 20.264 -99.200 -91.000 TRP6 248 1.020 45.046 8.998 20.757 -99.200 -91.000 TYR 261 0.840 58.906 -12.756 28.691 -99.200 -91.000 TRP 266 1.040 67.797 -15.624 15.114 -99.200 -91.000 TRP6 266 1.020 69.128 -15.414 13.181 -99.200 -91.000 TRP 275 1.040 60.501 -17.032 18.464 -99.200 -91.000 TRP6 275 1.020 58.950 -17.406 20.228 -99.200 -91.000 PHE 299 1.000 63.576 -12.929 14.006 -99.200 -91.000