============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 3 0.840 31.255 -3.547 14.677 -99.200 -91.000 TYR 7 0.840 29.698 -1.828 -1.376 -99.200 -91.000 PHE 8 1.000 33.183 -3.383 -5.920 -99.200 -91.000 TRP 28 1.040 32.159 2.113 9.453 -99.200 -91.000 TRP6 28 1.020 30.703 3.777 10.295 -99.200 -91.000 TRP 38 1.040 35.348 -7.083 -8.220 -99.200 -91.000 TRP6 38 1.020 35.264 -8.183 -6.110 -99.200 -91.000 TYR 49 0.840 27.543 -16.819 -0.425 -99.200 -91.000 PHE 55 1.000 30.709 -5.593 9.586 -99.200 -91.000 TYR 63 0.840 32.881 -12.758 2.182 -99.200 -91.000 HIS 71 0.900 27.447 -9.980 13.823 -99.200 -91.000 TYR 79 0.840 16.723 -9.586 14.091 -99.200 -91.000 TYR 103 0.840 18.036 1.981 -6.902 -99.200 -91.000 TYR 108 0.840 24.896 -1.195 -10.582 -99.200 -91.000 TYR 111 0.840 18.604 5.456 -14.969 -99.200 -91.000 TYR 118 0.840 12.178 0.588 -10.281 -99.200 -91.000 PHE 129 1.000 8.622 -1.518 2.145 -99.200 -91.000 PHE 142 1.000 11.862 4.321 16.036 -99.200 -91.000 PHE 150 1.000 17.460 -6.376 10.724 -99.200 -91.000 TYR 153 0.840 19.460 2.414 11.719 -99.200 -91.000 HIS 162 0.900 13.327 2.972 -4.823 -99.200 -91.000 PHE 173 1.000 3.080 5.462 -1.369 -99.200 -91.000 TYR 179 0.840 10.393 5.153 8.508 -99.200 -91.000 PHE 192 1.000 27.004 7.949 7.722 -99.200 -91.000 TYR 198 0.840 24.593 9.228 2.862 -99.200 -91.000