============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.364 7.436 18.293 -99.200 -91.000 TRP6 14 1.020 7.122 9.327 18.973 -99.200 -91.000 PHE 19 1.000 12.735 -4.217 2.888 -99.200 -91.000 TRP 37 1.040 22.988 11.362 14.006 -99.200 -91.000 TRP6 37 1.020 24.767 9.798 13.938 -99.200 -91.000 HIS 43 0.900 19.255 -7.978 19.121 -99.200 -91.000 TYR 47 0.840 23.692 -13.095 18.736 -99.200 -91.000 TRP 49 1.040 21.569 -16.556 16.240 -99.200 -91.000 TRP6 49 1.020 19.719 -15.180 16.735 -99.200 -91.000 PHE 53 1.000 22.246 -8.016 8.224 -99.200 -91.000 HIS 65 0.900 -0.972 1.486 9.923 -99.200 -91.000 TYR 70 0.840 7.299 2.679 -2.134 -99.200 -91.000 TYR 84 0.840 29.078 6.224 13.665 -99.200 -91.000 HIS 86 0.900 28.763 1.047 24.484 -99.200 -91.000 TYR 89 0.840 26.342 -6.244 20.728 -99.200 -91.000 TRP 91 1.040 29.945 -9.965 19.956 -99.200 -91.000 TRP6 91 1.020 30.973 -12.080 19.652 -99.200 -91.000 PHE 110 1.000 12.141 15.774 11.533 -99.200 -91.000 TYR 113 0.840 1.188 10.326 7.307 -99.200 -91.000 HIS 115 0.900 7.913 15.511 15.167 -99.200 -91.000 TYR 132 0.840 5.839 5.628 37.486 -99.200 -91.000 TRP 139 1.040 5.619 -2.853 10.803 -99.200 -91.000 TRP6 139 1.020 7.162 -1.082 11.015 -99.200 -91.000 PHE 177 1.000 13.628 -0.557 30.475 -99.200 -91.000 TYR 181 0.840 0.306 -6.058 31.831 -99.200 -91.000 PHE 200 1.000 9.236 0.284 28.060 -99.200 -91.000 PHE 206 1.000 7.218 14.875 35.898 -99.200 -91.000 TRP 210 1.040 4.294 10.247 23.067 -99.200 -91.000 TRP6 210 1.020 3.526 8.205 24.051 -99.200 -91.000 TYR 211 0.840 11.390 12.870 27.357 -99.200 -91.000 TRP 218 1.040 18.339 -9.806 26.960 -99.200 -91.000 TRP6 218 1.020 17.763 -11.313 28.670 -99.200 -91.000 TYR 228 0.840 8.441 -10.614 34.238 -99.200 -91.000 PHE 230 1.000 15.397 -9.364 31.226 -99.200 -91.000 TYR 231 0.840 11.597 -3.922 26.584 -99.200 -91.000 HIS 233 0.900 18.432 2.646 32.250 -99.200 -91.000 PHE 235 1.000 20.337 9.152 32.195 -99.200 -91.000 TRP 240 1.040 28.786 4.770 22.113 -99.200 -91.000 TRP6 240 1.020 26.920 4.142 20.775 -99.200 -91.000 PHE 248 1.000 32.498 9.216 14.398 -99.200 -91.000