============================================================================= 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. PHE 4 1.000 20.984 36.163 92.594 -99.200 -91.000 TYR 5 0.840 18.817 29.701 83.975 -99.200 -91.000 HIS 22 0.900 25.452 39.780 90.258 -99.200 -91.000 PHE 43 1.000 9.321 33.027 90.155 -99.200 -91.000 PHE 44 1.000 12.895 25.643 92.091 -99.200 -91.000 TYR 57 0.840 28.883 23.786 96.528 -99.200 -91.000 TRP 66 1.040 5.970 33.433 86.387 -99.200 -91.000 TRP6 66 1.020 6.333 33.144 84.072 -99.200 -91.000 TRP 70 1.040 2.195 35.492 77.607 -99.200 -91.000 TRP6 70 1.020 4.179 35.758 78.868 -99.200 -91.000 TRP 88 1.040 16.285 48.468 73.285 -99.200 -91.000 TRP6 88 1.020 14.196 48.637 72.159 -99.200 -91.000 PHE 102 1.000 16.137 37.105 66.301 -99.200 -91.000 HIS 107 0.900 13.518 41.548 48.640 -99.200 -91.000 PHE 133 1.000 15.572 30.259 78.826 -99.200 -91.000 TYR 159 0.840 1.234 42.744 53.392 -99.200 -91.000 TYR 169 0.840 -5.296 48.607 61.918 -99.200 -91.000 PHE 173 1.000 -7.326 39.078 60.055 -99.200 -91.000 TYR 174 0.840 -4.842 37.132 70.455 -99.200 -91.000 HIS 175 0.900 -10.610 34.959 66.781 -99.200 -91.000 PHE 190 1.000 7.689 39.031 55.742 -99.200 -91.000 PHE 203 1.000 1.656 32.290 58.510 -99.200 -91.000 TRP 225 1.040 -0.950 46.066 67.248 -99.200 -91.000 TRP6 225 1.020 -3.262 46.424 66.849 -99.200 -91.000 HIS 227 0.900 1.834 40.459 76.267 -99.200 -91.000 TYR 233 0.840 -11.071 43.318 71.813 -99.200 -91.000