============================================================================= 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 29 1.000 41.884 5.432 70.983 -99.200 -91.000 TYR 32 0.840 40.231 0.652 64.111 -99.200 -91.000 TRP 33 1.040 48.407 2.140 62.293 -99.200 -91.000 TRP6 33 1.020 49.293 2.047 60.106 -99.200 -91.000 TRP 36 1.040 45.205 14.828 66.629 -99.200 -91.000 TRP6 36 1.020 43.128 15.702 67.305 -99.200 -91.000 TRP 47 1.040 49.171 12.867 58.678 -99.200 -91.000 TRP6 47 1.020 51.516 12.883 58.697 -99.200 -91.000 TYR 58 0.840 51.269 3.288 73.137 -99.200 -91.000 TYR 61 0.840 55.527 7.378 61.835 -99.200 -91.000 TYR 62 0.840 54.786 14.612 65.972 -99.200 -91.000 PHE 70 1.000 50.769 21.457 66.111 -99.200 -91.000 TYR 82 0.840 44.606 12.825 75.790 -99.200 -91.000 TYR 95 0.840 44.449 22.007 64.444 -99.200 -91.000 TYR 96 0.840 37.673 18.135 60.214 -99.200 -91.000 PHE 98 1.000 42.023 10.094 57.654 -99.200 -91.000 TYR 103 0.840 35.760 3.951 60.883 -99.200 -91.000 TRP 104 1.040 37.781 11.891 57.419 -99.200 -91.000 TRP6 104 1.020 39.398 13.614 57.227 -99.200 -91.000 TYR 123 0.840 24.240 47.526 65.766 -99.200 -91.000 TYR 139 0.840 30.771 37.283 65.209 -99.200 -91.000 PHE 140 1.000 38.934 36.744 67.037 -99.200 -91.000 TRP 148 1.040 16.367 35.107 60.976 -99.200 -91.000 TRP6 148 1.020 16.022 37.415 61.203 -99.200 -91.000 HIS 158 0.900 18.804 32.754 51.429 -99.200 -91.000 PHE 160 1.000 23.635 36.538 53.006 -99.200 -91.000 TYR 169 0.840 35.862 36.193 62.326 -99.200 -91.000 TRP 182 1.040 7.870 42.232 60.668 -99.200 -91.000 TRP6 182 1.020 8.330 44.184 59.416 -99.200 -91.000 HIS 193 0.900 30.881 35.211 70.425 -99.200 -91.000