============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 12 0.900 2.722 -2.047 45.458 -99.200 -91.000 TYR 14 0.840 2.020 -0.098 52.019 -99.200 -91.000 TRP 15 1.040 0.837 -5.045 51.843 -99.200 -91.000 TRP6 15 1.020 0.409 -4.770 54.137 -99.200 -91.000 PHE 35 1.000 4.732 -9.508 55.499 -99.200 -91.000 PHE 36 1.000 -0.689 -15.369 53.447 -99.200 -91.000 PHE 53 1.000 0.562 -16.083 61.087 -99.200 -91.000 TYR 98 0.840 -5.436 -6.393 73.666 -99.200 -91.000 TYR 100 0.840 -4.881 2.120 62.153 -99.200 -91.000 TYR 106 0.840 -12.159 12.253 56.931 -99.200 -91.000 TYR 110 0.840 -10.669 17.660 54.444 -99.200 -91.000 PHE 145 1.000 -10.081 13.025 45.725 -99.200 -91.000 HIS 180 0.900 -15.150 9.043 32.051 -99.200 -91.000 PHE 186 1.000 -6.572 8.080 35.528 -99.200 -91.000 PHE 187 1.000 -7.530 9.965 45.967 -99.200 -91.000 TYR 190 0.840 -5.889 -0.209 48.963 -99.200 -91.000 TYR 192 0.840 -0.753 -3.886 43.203 -99.200 -91.000 PHE 215 1.000 -3.386 7.916 50.167 -99.200 -91.000 TYR 224 0.840 5.330 6.220 36.106 -99.200 -91.000 TYR 239 0.840 12.016 0.042 58.790 -99.200 -91.000 TYR 243 0.840 11.863 -1.339 64.417 -99.200 -91.000 TYR 250 0.840 10.276 -8.120 73.057 -99.200 -91.000 TYR 275 0.840 -5.338 2.445 74.923 -99.200 -91.000 TYR 292 0.840 9.486 10.643 51.062 -99.200 -91.000 PHE 305 1.000 13.568 7.519 42.977 -99.200 -91.000 HIS 308 0.900 19.818 5.032 49.347 -99.200 -91.000 HIS 309 0.900 26.572 10.483 54.359 -99.200 -91.000 HIS 310 0.900 29.020 3.429 55.333 -99.200 -91.000 HIS 311 0.900 29.484 8.870 60.479 -99.200 -91.000 HIS 312 0.900 33.240 4.305 55.335 -99.200 -91.000 HIS 313 0.900 29.427 4.845 62.933 -99.200 -91.000