============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 34 0.840 61.232 30.933 -1.639 -99.200 -91.000 TYR 36 0.840 64.454 33.709 2.324 -99.200 -91.000 HIS 38 0.900 63.145 30.147 8.847 -99.200 -91.000 TRP 39 1.040 57.691 32.714 14.426 -99.200 -91.000 TRP6 39 1.020 57.804 34.413 16.064 -99.200 -91.000 TYR 40 0.840 64.579 26.875 15.683 -99.200 -91.000 TYR 53 0.840 58.798 24.748 6.828 -99.200 -91.000 PHE 66 1.000 52.611 25.543 19.449 -99.200 -91.000 PHE 75 1.000 58.408 38.041 9.233 -99.200 -91.000 HIS 80 0.900 42.156 30.009 20.280 -99.200 -91.000 TYR 90 0.840 56.788 29.513 22.578 -99.200 -91.000 TYR 91 0.840 65.141 32.113 22.344 -99.200 -91.000 TYR 94 0.840 67.708 36.509 7.591 -99.200 -91.000 PHE 98 1.000 73.446 25.658 1.820 -99.200 -91.000 TRP 100 1.040 70.986 29.694 11.187 -99.200 -91.000 TRP6 100 1.020 70.482 28.121 12.880 -99.200 -91.000 PHE 102 1.000 68.704 31.451 17.235 -99.200 -91.000 PHE 120 1.000 55.099 18.661 52.025 -99.200 -91.000 PHE 122 1.000 61.760 17.684 53.561 -99.200 -91.000 PHE 143 1.000 54.876 28.272 44.978 -99.200 -91.000 TYR 144 0.840 49.740 30.968 38.196 -99.200 -91.000 TRP 152 1.040 64.571 29.856 56.092 -99.200 -91.000 TRP6 152 1.020 64.077 27.661 56.842 -99.200 -91.000 TYR 177 0.840 55.688 29.455 38.274 -99.200 -91.000 TYR 190 0.840 70.030 21.993 64.242 -99.200 -91.000 HIS 193 0.900 69.683 29.950 68.415 -99.200 -91.000 TYR 196 0.840 66.600 25.466 64.337 -99.200 -91.000 HIS 202 0.900 50.847 31.524 46.743 -99.200 -91.000 PHE 213 1.000 63.429 21.335 62.846 -99.200 -91.000