============================================================================= 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 8.301 6.183 18.485 -99.200 -91.000 TRP6 14 1.020 7.090 8.098 19.185 -99.200 -91.000 PHE 19 1.000 12.529 -5.541 3.377 -99.200 -91.000 TRP 37 1.040 22.676 10.487 14.117 -99.200 -91.000 TRP6 37 1.020 24.623 9.175 14.013 -99.200 -91.000 HIS 43 0.900 19.388 -9.121 19.497 -99.200 -91.000 TYR 47 0.840 23.607 -14.158 18.954 -99.200 -91.000 TRP 49 1.040 21.645 -17.834 16.444 -99.200 -91.000 TRP6 49 1.020 19.832 -16.416 16.933 -99.200 -91.000 PHE 53 1.000 22.191 -9.193 8.473 -99.200 -91.000 HIS 65 0.900 -0.969 0.490 10.228 -99.200 -91.000 TYR 70 0.840 7.367 1.314 -1.943 -99.200 -91.000 TYR 84 0.840 29.103 5.235 13.940 -99.200 -91.000 HIS 86 0.900 28.859 -0.155 24.704 -99.200 -91.000 TYR 89 0.840 26.467 -7.366 20.895 -99.200 -91.000 TRP 91 1.040 29.870 -11.246 20.308 -99.200 -91.000 TRP6 91 1.020 30.806 -13.409 20.074 -99.200 -91.000 PHE 110 1.000 12.102 14.473 11.538 -99.200 -91.000 TYR 113 0.840 1.122 9.241 7.431 -99.200 -91.000 HIS 115 0.900 7.663 14.448 15.375 -99.200 -91.000 TYR 132 0.840 5.716 4.578 37.966 -99.200 -91.000 TRP 139 1.040 5.442 -4.129 11.216 -99.200 -91.000 TRP6 139 1.020 6.960 -2.334 11.419 -99.200 -91.000 PHE 176 1.000 13.493 -1.709 30.804 -99.200 -91.000 TYR 180 0.840 0.188 -6.959 32.309 -99.200 -91.000 PHE 199 1.000 9.210 -0.671 28.332 -99.200 -91.000 PHE 205 1.000 6.908 14.322 36.047 -99.200 -91.000 TRP 209 1.040 4.257 9.141 23.280 -99.200 -91.000 TRP6 209 1.020 3.417 7.189 24.291 -99.200 -91.000 TYR 210 0.840 11.152 12.090 27.595 -99.200 -91.000 TRP 217 1.040 18.158 -10.944 27.210 -99.200 -91.000 TRP6 217 1.020 17.608 -12.504 28.888 -99.200 -91.000 TYR 227 0.840 8.457 -11.745 34.852 -99.200 -91.000 PHE 229 1.000 15.282 -10.318 31.566 -99.200 -91.000 TYR 230 0.840 11.556 -4.824 26.967 -99.200 -91.000 HIS 232 0.900 18.408 1.526 32.496 -99.200 -91.000 PHE 234 1.000 19.855 8.215 32.503 -99.200 -91.000 TRP 239 1.040 28.797 3.717 22.536 -99.200 -91.000 TRP6 239 1.020 26.999 3.138 21.133 -99.200 -91.000 PHE 247 1.000 32.803 8.186 15.184 -99.200 -91.000