============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 9 0.840 -29.612 99.379 -20.545 -99.200 -91.000 TYR 23 0.840 -21.309 90.596 -0.459 -99.200 -91.000 TYR 40 0.840 -13.367 95.894 -9.720 -99.200 -91.000 TRP 43 1.040 -10.809 103.094 -13.538 -99.200 -91.000 TRP6 43 1.020 -9.237 101.338 -13.360 -99.200 -91.000 HIS 44 0.900 -16.495 98.429 -11.972 -99.200 -91.000 TYR 47 0.840 -19.571 101.986 -18.072 -99.200 -91.000 PHE 54 1.000 -22.411 110.201 -23.306 -99.200 -91.000 PHE 59 1.000 -28.745 107.111 -12.877 -99.200 -91.000 PHE 70 1.000 -32.749 89.125 -3.680 -99.200 -91.000 TYR 75 0.840 -22.238 85.686 0.076 -99.200 -91.000 TYR 78 0.840 -16.783 86.857 -3.619 -99.200 -91.000 PHE 91 1.000 -4.208 80.928 -21.589 -99.200 -91.000 PHE 118 1.000 -1.759 89.691 -16.005 -99.200 -91.000 HIS 120 0.900 5.155 92.405 -22.972 -99.200 -91.000 TYR 123 0.840 -10.348 92.558 -22.421 -99.200 -91.000 TYR 128 0.840 -26.779 92.392 -30.959 -99.200 -91.000 PHE 161 1.000 -10.292 97.300 -34.865 -99.200 -91.000 TYR 168 0.840 -10.809 98.590 -24.818 -99.200 -91.000 TYR 205 0.840 -29.348 86.832 -22.608 -99.200 -91.000 HIS 207 0.900 -32.815 81.045 -31.608 -99.200 -91.000 PHE 222 1.000 -8.015 83.276 -32.116 -99.200 -91.000 HIS 224 0.900 -1.557 77.909 -25.387 -99.200 -91.000 TRP 227 1.040 -15.503 80.090 -25.139 -99.200 -91.000 TRP6 227 1.020 -15.538 80.255 -27.494 -99.200 -91.000 TYR 230 0.840 -22.045 83.077 -14.693 -99.200 -91.000 PHE 242 1.000 -32.882 78.817 -11.898 -99.200 -91.000 TYR 264 0.840 -26.349 72.722 -25.130 -99.200 -91.000 TYR 270 0.840 -22.667 76.057 -20.949 -99.200 -91.000 TRP 274 1.040 -16.668 75.538 -25.707 -99.200 -91.000 TRP6 274 1.020 -18.712 76.024 -24.629 -99.200 -91.000 TRP 286 1.040 -23.183 74.728 -2.899 -99.200 -91.000 TRP6 286 1.020 -23.545 76.529 -1.413 -99.200 -91.000 PHE 289 1.000 -19.949 79.981 -0.579 -99.200 -91.000 PHE 306 1.000 -26.494 86.429 8.712 -99.200 -91.000 HIS 319 0.900 -31.103 75.416 -10.656 -99.200 -91.000 TYR 320 0.840 -27.205 81.823 -12.832 -99.200 -91.000 TRP 327 1.040 -8.066 75.552 -28.769 -99.200 -91.000 TRP6 327 1.020 -9.536 77.020 -27.641 -99.200 -91.000 HIS 328 0.900 -0.179 74.332 -27.460 -99.200 -91.000 HIS 329 0.900 -6.421 72.710 -32.863 -99.200 -91.000