============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 79.442 16.136 4.617 -99.200 -91.000 TYR 30 0.840 61.902 6.162 -9.723 -99.200 -91.000 TYR 36 0.840 72.927 8.942 -16.631 -99.200 -91.000 TYR 37 0.840 67.229 13.510 -13.578 -99.200 -91.000 PHE 62 1.000 80.696 13.872 -11.427 -99.200 -91.000 TRP 72 1.040 75.523 7.365 -23.627 -99.200 -91.000 TRP6 72 1.020 75.390 8.420 -21.578 -99.200 -91.000 TYR 78 0.840 85.005 13.396 -17.752 -99.200 -91.000 PHE 91 1.000 81.901 30.911 -18.163 -99.200 -91.000 PHE 97 1.000 85.015 22.247 -23.493 -99.200 -91.000 TYR 112 0.840 66.683 23.821 -15.642 -99.200 -91.000 TYR 113 0.840 57.871 17.270 -16.749 -99.200 -91.000 HIS 115 0.900 54.408 21.198 -24.897 -99.200 -91.000 PHE 117 1.000 64.317 22.537 -20.355 -99.200 -91.000 HIS 118 0.900 64.810 20.263 -28.760 -99.200 -91.000 PHE 134 1.000 66.270 29.923 -20.174 -99.200 -91.000 TYR 136 0.840 60.431 27.684 -11.880 -99.200 -91.000 HIS 137 0.900 56.535 33.527 -7.925 -99.200 -91.000 TYR 144 0.840 67.667 29.331 -5.821 -99.200 -91.000 PHE 149 1.000 62.013 40.278 -14.653 -99.200 -91.000 TYR 169 0.840 59.232 36.089 -11.655 -99.200 -91.000 TYR 175 0.840 73.983 30.631 -14.809 -99.200 -91.000 PHE 176 1.000 71.734 28.316 -23.222 -99.200 -91.000 TYR 177 0.840 77.480 33.348 -19.604 -99.200 -91.000 TYR 205 0.840 77.600 38.754 -21.333 -99.200 -91.000 TYR 220 0.840 58.931 25.282 -19.451 -99.200 -91.000 TRP 222 1.040 65.672 25.409 -11.331 -99.200 -91.000 TRP6 222 1.020 65.852 27.336 -10.059 -99.200 -91.000 HIS 228 0.900 70.939 15.265 3.690 -99.200 -91.000 PHE 237 1.000 57.784 17.135 -10.658 -99.200 -91.000 TYR 257 0.840 67.131 5.559 -31.947 -99.200 -91.000 TRP 261 1.040 73.380 14.464 -31.653 -99.200 -91.000 TRP6 261 1.020 73.247 15.624 -29.625 -99.200 -91.000 TYR 279 0.840 68.650 4.041 -18.122 -99.200 -91.000 TYR 282 0.840 62.695 4.416 -21.593 -99.200 -91.000 TYR 292 0.840 53.291 9.794 -32.477 -99.200 -91.000