============================================================================= 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. HIS 3 0.900 3.215 -1.206 31.243 -99.200 -91.000 PHE 4 1.000 5.646 3.433 26.764 -99.200 -91.000 PHE 23 1.000 7.628 7.105 43.091 -99.200 -91.000 PHE 24 1.000 11.877 12.984 42.475 -99.200 -91.000 TYR 29 0.840 19.441 17.447 38.264 -99.200 -91.000 PHE 33 1.000 21.388 12.041 33.141 -99.200 -91.000 PHE 34 1.000 16.304 14.242 40.114 -99.200 -91.000 PHE 49 1.000 8.983 -9.516 42.507 -99.200 -91.000 TYR 82 0.840 -11.126 -7.779 30.301 -99.200 -91.000 HIS 84 0.900 -12.046 -16.342 35.787 -99.200 -91.000 TYR 96 0.840 -11.302 1.984 47.471 -99.200 -91.000 PHE 98 1.000 -6.527 -8.696 47.740 -99.200 -91.000 PHE 100 1.000 -2.587 -11.149 51.099 -99.200 -91.000 TYR 106 0.840 1.970 -3.933 53.824 -99.200 -91.000 PHE 134 1.000 2.314 -0.608 49.381 -99.200 -91.000 PHE 135 1.000 -2.425 -0.976 48.184 -99.200 -91.000 TRP 162 1.040 -8.511 5.025 27.968 -99.200 -91.000 TRP6 162 1.020 -9.676 4.702 25.918 -99.200 -91.000