============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 18.976 30.060 13.268 -99.200 -91.000 TYR 36 0.840 22.034 30.490 18.264 -99.200 -91.000 TRP 39 1.040 20.460 26.507 31.697 -99.200 -91.000 TRP6 39 1.020 18.451 26.224 32.911 -99.200 -91.000 TYR 53 0.840 29.209 30.208 25.708 -99.200 -91.000 PHE 66 1.000 26.808 26.454 38.979 -99.200 -91.000 PHE 75 1.000 16.874 23.250 25.423 -99.200 -91.000 TYR 90 0.840 20.698 28.759 39.883 -99.200 -91.000 TYR 91 0.840 15.565 34.881 36.327 -99.200 -91.000 HIS 97 0.900 11.017 31.475 15.560 -99.200 -91.000 PHE 98 1.000 11.735 40.144 17.256 -99.200 -91.000 PHE 102 1.000 15.350 37.184 29.525 -99.200 -91.000 PHE 122 1.000 15.423 47.015 69.411 -99.200 -91.000 PHE 139 1.000 14.842 45.014 64.015 -99.200 -91.000 PHE 143 1.000 12.782 33.445 61.241 -99.200 -91.000 TYR 144 0.840 15.538 26.281 57.047 -99.200 -91.000 TRP 152 1.040 3.145 43.368 66.799 -99.200 -91.000 TRP6 152 1.020 4.944 44.420 67.911 -99.200 -91.000 TRP 167 1.040 9.080 36.582 56.694 -99.200 -91.000 TRP6 167 1.020 6.912 37.529 56.777 -99.200 -91.000 TYR 177 0.840 14.528 32.008 54.742 -99.200 -91.000 TYR 190 0.840 4.281 53.934 73.432 -99.200 -91.000 HIS 193 0.900 -4.087 50.738 75.152 -99.200 -91.000 TYR 196 0.840 2.646 49.350 74.038 -99.200 -91.000 HIS 202 0.900 10.655 28.561 63.557 -99.200 -91.000 PHE 213 1.000 7.790 48.319 75.020 -99.200 -91.000