============================================================================= 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 6 0.840 5.391 52.498 39.612 -99.200 -91.000 HIS 17 0.900 4.745 60.270 26.043 -99.200 -91.000 TYR 21 0.840 11.341 64.109 19.127 -99.200 -91.000 HIS 39 0.900 -8.337 48.254 26.667 -99.200 -91.000 PHE 50 1.000 4.227 32.712 13.712 -99.200 -91.000 PHE 58 1.000 -4.901 40.728 15.035 -99.200 -91.000 HIS 64 0.900 2.865 38.098 30.291 -99.200 -91.000 HIS 67 0.900 -0.293 44.697 32.979 -99.200 -91.000 TYR 91 0.840 3.114 45.355 12.933 -99.200 -91.000 TYR 104 0.840 12.736 27.437 24.612 -99.200 -91.000 TRP 106 1.040 4.106 26.288 19.234 -99.200 -91.000 TRP6 106 1.020 2.648 26.166 21.077 -99.200 -91.000 TRP 113 1.040 4.918 37.431 11.036 -99.200 -91.000 TRP6 113 1.020 4.680 39.559 12.041 -99.200 -91.000 TYR 167 0.840 19.450 30.250 28.391 -99.200 -91.000 TYR 171 0.840 20.640 32.620 23.939 -99.200 -91.000 PHE 189 1.000 9.127 40.743 41.088 -99.200 -91.000 TYR 214 0.840 -8.043 50.835 31.248 -99.200 -91.000 HIS 226 0.900 7.503 50.375 32.406 -99.200 -91.000 HIS 238 0.900 18.443 61.039 17.977 -99.200 -91.000 TRP 241 1.040 20.967 57.909 16.648 -99.200 -91.000 TRP6 241 1.020 20.753 58.010 18.986 -99.200 -91.000 PHE 261 1.000 25.193 38.121 40.386 -99.200 -91.000 TYR 262 0.840 22.450 40.958 43.755 -99.200 -91.000 TYR 263 0.840 19.792 47.638 42.259 -99.200 -91.000