============================================================================= 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. TRP 6 1.040 16.470 47.434 1.830 -99.200 -91.000 TRP6 6 1.020 15.629 46.167 0.008 -99.200 -91.000 TYR 17 0.840 13.269 37.062 24.363 -99.200 -91.000 PHE 25 1.000 12.721 43.126 3.932 -99.200 -91.000 HIS 34 0.900 -0.878 58.700 3.215 -99.200 -91.000 HIS 52 0.900 10.632 30.077 28.169 -99.200 -91.000 PHE 62 1.000 14.154 55.983 13.417 -99.200 -91.000 TRP 78 1.040 17.220 52.613 9.472 -99.200 -91.000 TRP6 78 1.020 15.122 51.637 8.953 -99.200 -91.000 TYR 80 0.840 18.451 57.158 2.901 -99.200 -91.000 PHE 93 1.000 12.105 57.745 3.764 -99.200 -91.000 TYR 100 0.840 1.225 59.640 13.393 -99.200 -91.000 HIS 107 0.900 -9.016 55.404 18.457 -99.200 -91.000 PHE 121 1.000 2.341 45.433 13.447 -99.200 -91.000 TYR 125 0.840 3.087 55.375 13.643 -99.200 -91.000 TYR 132 0.840 10.896 62.965 14.504 -99.200 -91.000 PHE 134 1.000 8.813 53.943 12.437 -99.200 -91.000 PHE 136 1.000 7.562 48.603 14.094 -99.200 -91.000 TRP 138 1.040 5.075 41.532 15.457 -99.200 -91.000 TRP6 138 1.020 7.025 42.821 15.824 -99.200 -91.000 PHE 146 1.000 7.978 37.162 17.639 -99.200 -91.000 HIS 147 0.900 7.365 30.863 12.816 -99.200 -91.000 PHE 153 1.000 4.591 50.151 9.639 -99.200 -91.000 TYR 155 0.840 5.380 56.315 9.081 -99.200 -91.000