============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 2 0.900 51.334 25.503 28.115 -99.200 -91.000 HIS 43 0.900 55.761 43.352 -4.140 -99.200 -91.000 PHE 93 1.000 38.043 16.439 5.518 -99.200 -91.000 PHE 98 1.000 37.725 22.533 6.281 -99.200 -91.000 TRP 99 1.040 38.831 25.998 2.735 -99.200 -91.000 TRP6 99 1.020 39.621 26.806 4.786 -99.200 -91.000 PHE 103 1.000 35.088 31.288 3.489 -99.200 -91.000 PHE 124 1.000 34.550 35.924 7.951 -99.200 -91.000 HIS 130 0.900 34.955 26.126 12.727 -99.200 -91.000 TYR 167 0.840 46.999 15.610 19.094 -99.200 -91.000 TRP 180 1.040 50.385 28.564 10.622 -99.200 -91.000 TRP6 180 1.020 48.659 28.036 9.079 -99.200 -91.000 PHE 182 1.000 45.774 33.654 12.535 -99.200 -91.000 HIS 185 0.900 41.377 38.016 23.972 -99.200 -91.000 PHE 192 1.000 38.806 25.857 27.160 -99.200 -91.000 HIS 195 0.900 33.607 19.482 26.075 -99.200 -91.000 TYR 202 0.840 31.447 31.488 28.064 -99.200 -91.000 TRP 217 1.040 19.098 26.807 8.093 -99.200 -91.000 TRP6 217 1.020 18.835 28.771 9.370 -99.200 -91.000 TRP 228 1.040 17.994 24.668 16.507 -99.200 -91.000 TRP6 228 1.020 18.801 25.819 14.600 -99.200 -91.000 HIS 252 0.900 21.023 28.076 4.937 -99.200 -91.000