============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 10 1.000 33.032 21.005 61.718 -99.200 -91.000 TYR 11 0.840 38.359 20.303 55.641 -99.200 -91.000 TYR 14 0.840 40.082 26.929 56.031 -99.200 -91.000 HIS 35 0.900 30.678 15.802 67.469 -99.200 -91.000 PHE 37 1.000 36.486 25.571 69.957 -99.200 -91.000 TYR 48 0.840 30.155 39.033 69.548 -99.200 -91.000 PHE 53 1.000 31.410 31.859 63.645 -99.200 -91.000 TYR 55 0.840 26.000 28.403 63.585 -99.200 -91.000 HIS 56 0.900 26.757 21.022 59.801 -99.200 -91.000 HIS 58 0.900 19.292 24.303 64.890 -99.200 -91.000 TRP 63 1.040 30.205 28.848 69.511 -99.200 -91.000 TRP6 63 1.020 31.044 26.706 69.065 -99.200 -91.000 TYR 94 0.840 16.360 16.701 65.628 -99.200 -91.000 HIS 97 0.900 28.571 13.373 62.973 -99.200 -91.000 TRP 99 1.040 31.029 16.766 57.819 -99.200 -91.000 TRP6 99 1.020 30.045 17.158 59.944 -99.200 -91.000 HIS 123 0.900 32.474 40.461 44.795 -99.200 -91.000 TYR 127 0.840 30.106 35.004 47.107 -99.200 -91.000 PHE 134 1.000 31.368 21.171 47.468 -99.200 -91.000 PHE 145 1.000 33.746 6.105 45.879 -99.200 -91.000 PHE 149 1.000 30.393 2.881 49.148 -99.200 -91.000 PHE 157 1.000 30.382 2.153 57.505 -99.200 -91.000 HIS 161 0.900 32.715 10.905 66.018 -99.200 -91.000 PHE 164 1.000 32.694 8.007 58.835 -99.200 -91.000 TYR 166 0.840 22.874 12.743 58.225 -99.200 -91.000 PHE 171 1.000 27.218 6.325 48.689 -99.200 -91.000 PHE 198 1.000 26.951 -4.310 64.481 -99.200 -91.000 TYR 202 0.840 24.680 -7.479 61.900 -99.200 -91.000 PHE 208 1.000 36.905 1.188 58.086 -99.200 -91.000 TYR 245 0.840 33.987 18.368 52.477 -99.200 -91.000