============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 30 0.900 -11.869 17.236 29.029 -99.200 -91.000 TYR 36 0.840 -8.693 21.550 28.126 -99.200 -91.000 HIS 38 0.900 -2.844 24.995 27.107 -99.200 -91.000 TRP 39 1.040 2.181 26.002 20.771 -99.200 -91.000 TRP6 39 1.020 4.097 24.915 19.912 -99.200 -91.000 TYR 40 0.840 2.865 27.677 29.235 -99.200 -91.000 TYR 53 0.840 -6.472 31.190 25.654 -99.200 -91.000 PHE 59 1.000 -2.888 35.055 29.131 -99.200 -91.000 PHE 66 1.000 4.543 35.947 19.206 -99.200 -91.000 PHE 75 1.000 -1.699 19.318 18.973 -99.200 -91.000 TYR 90 0.840 9.292 31.366 21.018 -99.200 -91.000 PHE 91 1.000 10.189 25.085 27.640 -99.200 -91.000 HIS 97 0.900 -4.965 12.913 28.452 -99.200 -91.000 PHE 101 1.000 5.043 22.305 31.691 -99.200 -91.000 PHE 121 1.000 38.560 43.975 31.956 -99.200 -91.000 PHE 138 1.000 32.963 41.232 27.896 -99.200 -91.000 PHE 142 1.000 31.475 37.175 20.439 -99.200 -91.000 TYR 143 0.840 25.065 36.619 14.715 -99.200 -91.000 TRP 151 1.040 43.935 33.250 27.354 -99.200 -91.000 TRP6 151 1.020 43.964 35.405 28.323 -99.200 -91.000 TRP 166 1.040 30.714 32.510 23.563 -99.200 -91.000 TRP6 166 1.020 32.209 30.683 23.728 -99.200 -91.000 TYR 176 0.840 25.097 34.650 20.587 -99.200 -91.000 TYR 189 0.840 49.806 37.995 37.006 -99.200 -91.000 HIS 192 0.900 56.013 32.904 32.404 -99.200 -91.000 TYR 195 0.840 50.951 37.333 32.392 -99.200 -91.000 HIS 201 0.900 33.361 36.504 15.250 -99.200 -91.000 PHE 212 1.000 48.486 42.224 31.989 -99.200 -91.000