============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 6 1.000 14.094 46.751 57.673 -99.200 -91.000 PHE 11 1.000 12.632 52.210 61.614 -99.200 -91.000 TRP 18 1.040 15.529 54.567 52.125 -99.200 -91.000 TRP6 18 1.020 13.523 53.779 53.128 -99.200 -91.000 TRP 27 1.040 1.932 66.083 51.127 -99.200 -91.000 TRP6 27 1.020 0.845 66.773 53.113 -99.200 -91.000 HIS 38 0.900 1.861 43.315 52.731 -99.200 -91.000 PHE 43 1.000 12.758 47.612 53.365 -99.200 -91.000 TYR 59 0.840 3.368 38.271 43.496 -99.200 -91.000 HIS 62 0.900 -2.521 40.855 37.650 -99.200 -91.000 TYR 67 0.840 6.425 50.931 45.786 -99.200 -91.000 TYR 68 0.840 11.119 54.795 50.453 -99.200 -91.000 HIS 72 0.900 26.868 56.531 51.322 -99.200 -91.000 PHE 75 1.000 30.130 51.936 50.309 -99.200 -91.000 TYR 113 0.840 14.064 51.155 36.768 -99.200 -91.000 TYR 118 0.840 12.304 46.752 34.803 -99.200 -91.000 HIS 120 0.900 6.182 55.184 28.388 -99.200 -91.000 TYR 136 0.840 8.377 63.188 60.127 -99.200 -91.000