============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 26 1.000 0.072 24.511 11.296 -99.200 -91.000 HIS 39 0.900 12.432 18.124 28.925 -99.200 -91.000 PHE 58 1.000 6.152 25.073 26.980 -99.200 -91.000 PHE 59 1.000 -1.148 23.281 29.241 -99.200 -91.000 HIS 61 0.900 -0.192 17.097 27.441 -99.200 -91.000 TRP 69 1.040 -3.155 14.455 25.275 -99.200 -91.000 TRP6 69 1.020 -3.040 15.674 23.267 -99.200 -91.000 PHE 73 1.000 -7.847 19.818 22.302 -99.200 -91.000 PHE 80 1.000 -3.356 31.446 21.188 -99.200 -91.000 TRP 106 1.040 5.361 -3.043 23.895 -99.200 -91.000 TRP6 106 1.020 5.458 -3.243 21.549 -99.200 -91.000 PHE 118 1.000 -7.572 6.255 22.578 -99.200 -91.000 PHE 119 1.000 -4.315 8.720 26.600 -99.200 -91.000 PHE 146 1.000 3.018 4.607 3.845 -99.200 -91.000 TYR 155 0.840 9.662 6.054 15.241 -99.200 -91.000 TYR 178 0.840 -18.648 13.437 14.952 -99.200 -91.000 HIS 186 0.900 2.550 8.182 6.997 -99.200 -91.000 TYR 189 0.840 15.944 8.270 8.555 -99.200 -91.000 HIS 215 0.900 18.726 16.555 -0.274 -99.200 -91.000 TYR 224 0.840 6.921 25.688 3.158 -99.200 -91.000 TYR 228 0.840 -3.114 19.890 0.772 -99.200 -91.000 PHE 236 1.000 -13.590 14.754 -2.044 -99.200 -91.000 PHE 242 1.000 -2.130 14.007 2.307 -99.200 -91.000 TYR 248 0.840 14.015 5.015 3.913 -99.200 -91.000