============================================================================= 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. PHE 21 1.000 34.219 74.949 17.879 -99.200 -91.000 PHE 36 1.000 31.043 76.362 14.718 -99.200 -91.000 TYR 37 0.840 28.935 74.602 20.248 -99.200 -91.000 PHE 47 1.000 23.255 80.952 25.517 -99.200 -91.000 TRP 48 1.040 23.792 75.967 32.611 -99.200 -91.000 TRP6 48 1.020 24.906 73.902 32.283 -99.200 -91.000 TYR 82 0.840 19.901 82.684 43.996 -99.200 -91.000 PHE 84 1.000 6.386 84.683 38.103 -99.200 -91.000 PHE 118 1.000 6.437 83.224 32.245 -99.200 -91.000 TYR 126 0.840 22.806 71.118 36.851 -99.200 -91.000 PHE 136 1.000 23.165 57.860 43.183 -99.200 -91.000 PHE 139 1.000 26.644 67.439 48.106 -99.200 -91.000 TYR 141 0.840 23.550 78.303 48.656 -99.200 -91.000 TRP 154 1.040 15.358 68.490 44.268 -99.200 -91.000 TRP6 154 1.020 13.627 69.988 44.914 -99.200 -91.000 TYR 180 0.840 26.902 62.466 29.535 -99.200 -91.000 PHE 187 1.000 18.502 56.385 43.180 -99.200 -91.000 HIS 199 0.900 26.464 69.423 33.017 -99.200 -91.000 HIS 207 0.900 32.767 58.450 27.790 -99.200 -91.000 PHE 208 1.000 27.650 63.141 24.219 -99.200 -91.000 PHE 212 1.000 21.250 60.201 24.107 -99.200 -91.000 PHE 225 1.000 29.119 68.643 22.567 -99.200 -91.000 HIS 226 0.900 31.807 74.951 24.993 -99.200 -91.000 TYR 238 0.840 29.180 56.013 18.115 -99.200 -91.000 HIS 242 0.900 27.379 52.528 16.254 -99.200 -91.000