============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 14 1.000 39.607 49.001 75.443 -99.200 -91.000 TRP 20 1.040 35.970 64.020 71.517 -99.200 -91.000 TRP6 20 1.020 33.701 64.571 71.814 -99.200 -91.000 TYR 24 0.840 34.044 49.222 75.528 -99.200 -91.000 TYR 29 0.840 36.855 46.013 82.596 -99.200 -91.000 PHE 31 1.000 32.786 42.720 87.768 -99.200 -91.000 PHE 36 1.000 28.648 34.778 90.494 -99.200 -91.000 PHE 37 1.000 17.995 32.689 92.742 -99.200 -91.000 TYR 41 0.840 16.575 25.477 82.604 -99.200 -91.000 PHE 64 1.000 17.230 32.338 83.579 -99.200 -91.000 PHE 66 1.000 17.144 36.435 87.669 -99.200 -91.000 PHE 74 1.000 32.688 46.824 82.081 -99.200 -91.000 TYR 77 0.840 27.237 45.593 85.691 -99.200 -91.000 TYR 88 0.840 37.180 24.817 71.811 -99.200 -91.000 PHE 95 1.000 28.766 28.865 73.575 -99.200 -91.000 PHE 99 1.000 18.331 38.499 77.925 -99.200 -91.000 HIS 103 0.900 25.573 50.795 75.314 -99.200 -91.000 TRP 113 1.040 36.322 39.702 78.244 -99.200 -91.000 TRP6 113 1.020 35.428 41.729 79.082 -99.200 -91.000 PHE 115 1.000 31.150 37.900 79.101 -99.200 -91.000 PHE 124 1.000 12.710 41.476 94.334 -99.200 -91.000 TYR 136 0.840 14.079 42.162 75.441 -99.200 -91.000 TYR 147 0.840 18.469 35.514 102.884 -99.200 -91.000 HIS 149 0.900 14.996 27.651 103.185 -99.200 -91.000 PHE 166 1.000 35.800 27.186 76.852 -99.200 -91.000 TYR 187 0.840 41.482 29.928 81.927 -99.200 -91.000 TRP 197 1.040 24.425 30.881 102.754 -99.200 -91.000 TRP6 197 1.020 25.459 32.811 101.874 -99.200 -91.000 HIS 206 0.900 5.781 33.703 81.890 -99.200 -91.000 HIS 208 0.900 10.249 40.001 73.787 -99.200 -91.000 TYR 217 0.840 11.788 21.297 76.483 -99.200 -91.000 HIS 226 0.900 22.169 34.185 97.810 -99.200 -91.000 PHE 227 1.000 28.063 31.251 93.339 -99.200 -91.000 TYR 235 0.840 41.806 43.743 78.659 -99.200 -91.000 TYR 242 0.840 34.537 28.817 65.297 -99.200 -91.000