============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 4 0.840 39.133 25.196 24.464 -99.200 -91.000 PHE 8 1.000 34.086 24.277 20.629 -99.200 -91.000 PHE 19 1.000 38.862 34.270 13.327 -99.200 -91.000 PHE 22 1.000 49.936 31.212 17.002 -99.200 -91.000 PHE 54 1.000 61.588 25.412 21.323 -99.200 -91.000 PHE 72 1.000 62.833 33.509 21.509 -99.200 -91.000 PHE 82 1.000 53.004 29.385 31.780 -99.200 -91.000 HIS 92 0.900 39.644 39.919 27.963 -99.200 -91.000 TYR 102 0.840 57.154 24.423 18.185 -99.200 -91.000 PHE 107 1.000 61.616 16.083 29.467 -99.200 -91.000 PHE 114 1.000 53.752 24.196 29.906 -99.200 -91.000 TYR 115 0.840 50.439 19.666 30.356 -99.200 -91.000 PHE 139 1.000 54.771 15.753 26.669 -99.200 -91.000 HIS 146 0.900 48.562 19.437 37.483 -99.200 -91.000 PHE 152 1.000 46.931 14.466 22.096 -99.200 -91.000 TYR 169 0.840 45.547 8.347 23.200 -99.200 -91.000 TYR 173 0.840 41.441 23.222 19.952 -99.200 -91.000 TYR 175 0.840 45.449 22.552 14.507 -99.200 -91.000 HIS 192 0.900 33.265 18.250 3.084 -99.200 -91.000 HIS 193 0.900 35.908 9.148 5.902 -99.200 -91.000 TYR 201 0.840 35.862 6.459 15.165 -99.200 -91.000 HIS 202 0.900 30.401 9.021 20.744 -99.200 -91.000 PHE 210 1.000 49.537 23.799 9.948 -99.200 -91.000 PHE 256 1.000 42.052 38.407 8.904 -99.200 -91.000