============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 6.042 37.778 47.077 -99.200 -91.000 TYR 16 0.840 13.852 36.884 33.875 -99.200 -91.000 TYR 24 0.840 24.841 33.902 30.650 -99.200 -91.000 PHE 29 1.000 15.936 33.803 38.245 -99.200 -91.000 TYR 32 0.840 10.011 38.755 51.409 -99.200 -91.000 PHE 46 1.000 20.182 26.840 52.003 -99.200 -91.000 TYR 48 0.840 20.870 30.528 47.217 -99.200 -91.000 TYR 58 0.840 2.410 30.852 42.523 -99.200 -91.000 TRP 67 1.040 -1.126 17.397 44.195 -99.200 -91.000 TRP6 67 1.020 -1.833 19.463 45.128 -99.200 -91.000 HIS 77 0.900 11.856 13.389 47.294 -99.200 -91.000 TYR 90 0.840 -7.489 19.543 54.190 -99.200 -91.000 PHE 98 1.000 3.150 24.793 52.020 -99.200 -91.000 PHE 102 1.000 8.022 33.282 52.686 -99.200 -91.000 TYR 111 0.840 -14.847 48.178 42.805 -99.200 -91.000 TYR 131 0.840 -18.347 38.923 42.918 -99.200 -91.000 PHE 142 1.000 -12.146 31.380 51.715 -99.200 -91.000 PHE 143 1.000 -14.021 33.910 47.500 -99.200 -91.000 TYR 151 0.840 -16.572 34.624 52.642 -99.200 -91.000 TRP 155 1.040 -17.490 28.034 43.412 -99.200 -91.000 TRP6 155 1.020 -15.577 28.520 42.050 -99.200 -91.000 PHE 157 1.000 -20.885 37.647 39.369 -99.200 -91.000 TYR 182 0.840 -12.567 41.456 37.623 -99.200 -91.000 TYR 193 0.840 4.881 45.265 44.182 -99.200 -91.000 TYR 213 0.840 2.270 34.507 50.208 -99.200 -91.000 TYR 223 0.840 18.480 20.839 53.651 -99.200 -91.000 HIS 241 0.900 8.511 45.980 59.548 -99.200 -91.000 TRP 247 1.040 12.870 43.186 48.043 -99.200 -91.000 TRP6 247 1.020 13.794 43.578 45.893 -99.200 -91.000 TRP 248 1.040 4.722 44.515 49.697 -99.200 -91.000 TRP6 248 1.020 6.074 42.570 49.492 -99.200 -91.000