Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.29 K 0.25 Q 0.24 R 0.14 M 0.02 E 0.01 C Shift Assignments>> C :: 177.829 CA :: 57.787 CB :: 28.065 CG :: 33.203 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.838 HA :: 3.935 HB2 :: 1.814 HB3 :: 1.738 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.D125 1.T29 1.D125 1.T29 C Shift Assignments>> C :: 175.512 CA :: 65.651 CB :: 67.942 CG2 :: 21.418 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.849 HA :: 3.807 HB :: 3.972 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.889 Ave N Shift Values>> N :: 115.42(4.75) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.397 CA :: 65.262 CB :: 31.300 CG1 :: 21.478 CG2 :: 20.562 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.387 HA :: 3.681 HB :: 1.631 HG11 :: 0.794 HG12 :: 0.794 HG13 :: 0.794 HG21 :: 0.794 HG22 :: 0.794 HG23 :: 0.794 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.432 Ave N Shift Values>> N :: 121.14(4.54) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 C 0.29 M 0.18 Q 0.11 R 0.09 C Shift Assignments>> C :: 179.481 CA :: 55.778 CB :: 29.558 CG :: 31.637 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.086 HA :: 4.668 HB2 :: 2.097 HB3 :: 1.879 HG2 :: 2.478 HG3 :: 2.478 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.446 Ave N Shift Values>> N :: 120.09(3.57) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.37 K 0.09 G 0.04 L 0.01 C Shift Assignments>> C :: 176.415 CA :: 60.057 CB :: 29.357 CG :: 26.813 CD :: 42.937 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.667 HA :: 3.815 HB2 :: 2.261 HB3 :: 2.261 HG2 :: 1.825 HG3 :: 1.825 HD2 :: 3.182 HD3 :: 3.182 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.128 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.2 Q 0.2 K 0.19 I 0.04 M 0.01 R 0.01 C Shift Assignments>> C :: 179.452 CA :: 58.607 CB :: 29.081 CG :: 34.857 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.944 HA :: 4.190 HB2 :: 2.276 HB3 :: 2.276 HG2 :: 2.550 HG3 :: 2.425 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.741 Ave N Shift Values>> N :: 120.67(3.48) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.34 I 0.01 C Shift Assignments>> C :: 176.718 CA :: 59.971 CB :: 33.971 CG :: 31.627 CE :: 17.877 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.106 HA :: 3.432 HB2 :: 2.368 HB3 :: 2.368 HG2 :: 2.219 HG3 :: 2.219 HE1 :: 1.484 HE2 :: 1.484 HE3 :: 1.484 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.486 Ave N Shift Values>> N :: 120.09(3.57) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.927 CA :: 67.442 CB :: 68.385 CG2 :: 20.613 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.169 HA :: 3.990 HG21 :: 1.529 HG22 :: 1.529 HG23 :: 1.529 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.127 Ave N Shift Values>> N :: 115.42(4.75) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.07 K 0.05 V 0.05 I 0.04 M 0.03 HN Overlap>> 1.D84 1.D84 C Shift Assignments>> C :: 176.362 CA :: 59.459 CB :: 30.326 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.519 HA :: 3.944 HB2 :: 2.180 HB3 :: 2.063 HG2 :: 1.946 HG3 :: 1.837 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.555 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.21 D 0.17 C 0.12 N 0.12 L 0.09 I 0.03 C Shift Assignments>> C :: 175.293 CA :: 55.968 CB :: 39.425 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.329 HA :: 4.425 HB2 :: 2.644 HB3 :: 2.444 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.398 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 F 0.27 Y 0.24 C 0.14 K 0.02 L 0.01 C Shift Assignments>> C :: 175.354 CA :: 60.538 CB :: 40.432 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.548 HA :: 4.316 HB2 :: 3.333 HB3 :: 3.288 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.581 Ave N Shift Values>> N :: 120.45(4.18) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.815 CA :: 62.410 CB :: 37.173 CG1 :: 28.260 CG2 :: 17.167 CD1 :: 12.422 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.222 HA :: 4.081 HB :: 2.125 HG12 :: 1.018 HG13 :: 1.018 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 112.675 Ave N Shift Values>> N :: 121.46(4.28) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 176.606 CA :: 58.676 CB :: 31.811 CG :: 25.007 CD :: 28.968 CE :: 41.652 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.359 HA :: 4.214 HB2 :: 2.030 HB3 :: 1.870 HG2 :: 1.603 HG3 :: 1.603 HD2 :: 1.811 HD3 :: 1.811 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.527 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 174.957 CA :: 52.148 CB :: 17.694 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.326 HA :: 4.406 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.931 Ave N Shift Values>> N :: 123.23(3.54) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.18 Y 0.09 F 0.07 V 0.01 HN Overlap>> 1.N103 1.N103 C Shift Assignments>> C :: 175.429 CA :: 63.033 CB :: 37.923 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.208 HA :: 3.721 HB2 :: 3.248 HB3 :: 3.026 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.056 Ave N Shift Values>> N :: 120.52(4.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.24 I 0.24 K 0.08 Q 0.04 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 178.004 CA :: 60.065 CB :: 28.608 CG :: 35.884 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.767 HA :: 3.667 HB2 :: 2.173 HB3 :: 2.045 HG2 :: 2.374 HG3 :: 2.275 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.700 Ave N Shift Values>> N :: 120.67(3.48) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.175 CA :: 64.759 CB :: 30.849 CG1 :: 21.381 CG2 :: 20.586 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.842 HA :: 3.880 HB :: 2.054 HG11 :: 1.005 HG12 :: 1.005 HG13 :: 1.005 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.640 Ave N Shift Values>> N :: 121.14(4.54) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.23 I 0.14 C 0.13 K 0.11 L 0.05 D 0.01 R 0.01 C Shift Assignments>> C :: 174.551 CA :: 59.717 CB :: 41.125 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.171 HA :: 4.324 HB2 :: 3.080 HB3 :: 2.446 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.007 Ave N Shift Values>> N :: 120.17(4.64) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.3 I 0.02 C 0.01 C Shift Assignments>> C :: 179.175 CA :: 54.511 CB :: 16.680 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.105 HA :: 3.655 HB1 :: 1.049 HB2 :: 1.049 HB3 :: 1.049 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.940 Ave N Shift Values>> N :: 123.23(3.54) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.15 C Shift Assignments>> C :: 178.022 CA :: 57.848 CB :: 31.873 CG :: 24.428 CD :: 28.362 CE :: 41.687 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.337 HA :: 4.192 HB2 :: 1.928 HB3 :: 1.708 HG2 :: 1.572 HG3 :: 1.474 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 K 0.09 I 0.09 Q 0.07 M 0.03 C Shift Assignments>> C :: 176.894 CA :: 59.063 CB :: 29.740 CG :: 35.758 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.020 HA :: 3.893 HB2 :: 2.112 HB3 :: 1.836 HG2 :: 2.286 HG3 :: 2.286 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.718 Ave N Shift Values>> N :: 120.67(3.48) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 E 0.18 F 0.15 I 0.1 M 0.03 N 0.01 K 0.01 C Shift Assignments>> C :: 173.370 CA :: 57.818 CB :: 37.371 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.071 HA :: 4.393 HB2 :: 3.200 HB3 :: 2.608 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 113.456 Ave N Shift Values>> N :: 120.52(4.2) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.22 E 0.13 M 0.11 Y 0.06 F 0.04 K 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 173.957 CA :: 53.521 CB :: 36.547 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.579 HA :: 4.437 HB2 :: 3.082 HB3 :: 2.663 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.625 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.31 L 0.1 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.249 CA :: 52.670 CB :: 40.019 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.208 HA :: 4.529 HB2 :: 1.606 HB3 :: 1.432 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.514 Ave N Shift Values>> N :: 121.86(3.9) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 177.017 CA :: 61.945 CB :: 31.703 CG :: 26.754 CD :: 49.840 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.617 HB2 :: 2.473 HB3 :: 2.064 HG2 :: 1.731 HG3 :: 1.731 HD2 :: 3.079 HD3 :: 3.083 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.14 K 0.11 Q 0.07 M 0.01 C Shift Assignments>> C :: 177.765 CA :: 59.177 CB :: 29.013 CG :: 35.823 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.061 HA :: 4.217 HB2 :: 2.367 HB3 :: 2.096 HG2 :: 3.191(S) HG3 :: 2.830 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.503 Ave N Shift Values>> N :: 120.67(3.48) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.34 C 0.01 I 0.01 HN Overlap>> 1.D105 1.H122 1.D105 1.H122 C Shift Assignments>> C :: 177.964 CA :: 53.865 CB :: 18.173 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.565 HA :: 4.213 HB1 :: 1.484 HB2 :: 1.484 HB3 :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.622 Ave N Shift Values>> N :: 123.23(3.54) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.T3 1.D125 1.T3 1.D125 C Shift Assignments>> C :: 175.020 CA :: 66.065 CB :: 67.432 CG2 :: 21.940 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.935 HA :: 3.929 HB :: 4.419 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.917 Ave N Shift Values>> N :: 115.42(4.75) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.713 CA :: 45.117 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.448 HA2 :: 3.625 HA3 :: 2.946 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.677 Ave N Shift Values>> N :: 109.67(3.87) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 174.745 CA :: 60.616 CB :: 62.380 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.535 HA :: 4.140 HB2 :: 3.923 HB3 :: 3.923 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.677 Ave N Shift Values>> N :: 116.28(3.52) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 I 0.12 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.463 CA :: 59.006 CB :: 29.649 CG :: 36.205 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.584 HA :: 4.156 HB2 :: 2.252 HB3 :: 2.252 HG2 :: 2.516 HG3 :: 2.516 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.718 Ave N Shift Values>> N :: 120.67(3.48) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.37 R 0.2 K 0.01 C Shift Assignments>> C :: 178.055 CA :: 56.944 CB :: 41.959 CG :: 28.157 CD1 :: 26.410 CD2 :: 24.523 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.596 HA :: 4.113 HB2 :: 1.899 HB3 :: 1.812 HG :: 1.728 HD11 :: 1.218 HD12 :: 1.218 HD13 :: 1.218 HD21 :: 1.218 HD22 :: 1.218 HD23 :: 1.218 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.244 Ave N Shift Values>> N :: 121.86(3.9) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.23 V 0.06 Y 0.05 F 0.03 C Shift Assignments>> C :: 174.671 CA :: 63.677 CB :: 36.994 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.066 HA :: 3.789 HB :: 1.914 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.513 Ave N Shift Values>> N :: 121.46(4.28) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.12 D 0.08 Y 0.05 F 0.05 E 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 173.240 CA :: 52.713 CB :: 37.904 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.690 HA :: 4.770 HB2 :: 1.958 HB3 :: 1.674 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.030 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 F 0.15 C 0.14 Y 0.13 C Shift Assignments>> C :: 174.901 CA :: 62.855 CB :: 40.245 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.673 HA :: 3.753 HB2 :: 3.602 HB3 :: 2.297 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.544 Ave N Shift Values>> N :: 120.45(4.18) 1.W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 L 0.02 I 0.02 C Shift Assignments>> C :: 174.329 CA :: 56.515 CB :: 28.931 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.487 HA :: 4.638 HB2 :: 3.224 HB3 :: 3.224 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 113.964 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 C 0.16 K 0.16 R 0.13 H 0.11 W 0.1 E 0.08 Q 0.05 V 0.02 C Shift Assignments>> C :: 177.071 CA :: 56.948 CB :: 32.056 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.927 HA :: 3.835 HB2 :: 1.552 HB3 :: 1.552 HG2 :: 0.600 HG3 :: 0.600 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.321 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.32 E 0.31 K 0.14 Q 0.11 I 0.08 R 0.01 C Shift Assignments>> C :: 176.624 CA :: 57.855 CB :: 28.601 CG :: 35.757 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.389 HA :: 3.947 HB2 :: 1.979 HB3 :: 1.943 HG2 :: 2.155 HG3 :: 2.155 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 132.606(S) Ave N Shift Values>> N :: 120.67(3.48) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.459 CA :: 44.876 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.072 HA2 :: 4.073 HA3 :: 3.659 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.076 Ave N Shift Values>> N :: 109.67(3.87) 1.H41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 M 0.15 H 0.14 C 0.13 K 0.11 W 0.11 E 0.1 Q 0.08 HN Overlap>> 1.A100 1.A100 C Shift Assignments>> C :: 172.784 CA :: 55.746 CB :: 31.327 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.450 HA :: 4.495 HB2 :: 2.942 HB3 :: 2.699 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.821 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.29 E 0.15 Q 0.12 K 0.01 C Shift Assignments>> C :: 173.631 CA :: 53.886 CB :: 31.693 CG :: 35.098 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.795 HA :: 4.335 HB2 :: 1.784 HB3 :: 1.615 HG2 :: 2.029 HG3 :: 1.987 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.138 Ave N Shift Values>> N :: 120.67(3.48) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.2 K 0.06 A 0.02 C Shift Assignments>> C :: 175.361 CA :: 53.999 CB :: 41.774 CG :: 26.424 CD1 :: 23.818 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.486 HA :: 4.564 HB2 :: 1.955 HB3 :: 1.704 HG :: 1.328 HD11 :: 1.296 HD12 :: 1.296 HD13 :: 1.296 HD21 :: 1.296 HD22 :: 1.296 HD23 :: 1.296 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.560 Ave N Shift Values>> N :: 121.86(3.9) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.245 CA :: 61.656 CB :: 70.998 CG2 :: 21.042 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.409 HA :: 4.515 HB :: 4.189 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.739 Ave N Shift Values>> N :: 115.42(4.75) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.223 CA :: 60.206 CB :: 70.752 CG2 :: 21.384 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.749 HA :: 4.738 HB :: 4.566 HG21 :: 1.366 HG22 :: 1.366 HG23 :: 1.366 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.955 Ave N Shift Values>> N :: 115.42(4.75) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.29 R 0.21 I 0.07 L 0.01 G 0.01 C Shift Assignments>> C :: 177.171 CA :: 59.293 CB :: 29.308 CD :: 42.420 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.876 HA :: 3.857 HB2 :: 1.829 HB3 :: 1.680 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.339 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.32 E 0.04 C Shift Assignments>> C :: 176.989 CA :: 61.375 CB :: 28.256 CG :: 37.944 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.172 HA :: 3.782 HB2 :: 2.247 HB3 :: 1.949 HG2 :: 2.489 HG3 :: 2.269 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.766 Ave N Shift Values>> N :: 120.67(3.48) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.24 I 0.03 C 0.01 C Shift Assignments>> C :: 178.808 CA :: 55.115 CB :: 16.889 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.033 HA :: 3.890 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.067 Ave N Shift Values>> N :: 123.23(3.54) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 P 0.26 A 0.11 C 0.1 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 174.738 CA :: 48.099 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.654 HA2 :: 4.205 HA3 :: 3.551 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.573 Ave N Shift Values>> N :: 109.67(3.87) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.2 Q 0.19 K 0.13 E 0.08 H 0.03 R 0.02 N 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.776 CA :: 54.624 CB :: 34.638 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.234 HA :: 4.579 HB2 :: 2.810 HB3 :: 2.710 HG :: 0.962 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.822 Ave N Shift Values>> N :: 120.17(4.64) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.23 I 0.06 C 0.02 C Shift Assignments>> C :: 177.205 CA :: 55.767 CB :: 17.716 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.709 HA :: 3.670 HB1 :: 1.650 HB2 :: 1.650 HB3 :: 1.650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.010 Ave N Shift Values>> N :: 123.23(3.54) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.701 CA :: 65.318 CB :: 37.300 CG1 :: 29.468 CG2 :: 18.100 CD1 :: 12.878 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.119 HA :: 3.792 HB :: 1.985 HG12 :: 0.943 HG13 :: 0.943 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.990 Ave N Shift Values>> N :: 121.46(4.28) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.18 A 0.04 G 0.01 C Shift Assignments>> C :: 177.508 CA :: 58.026 CB :: 41.803 CG :: 26.046 CD1 :: 22.679 CD2 :: 20.301 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.450 HA :: 4.035 HB2 :: 2.008 HB3 :: 1.521 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.468 Ave N Shift Values>> N :: 121.86(3.9) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 I 0.19 C 0.14 L 0.03 K 0.02 D 0.01 C Shift Assignments>> C :: 175.115 CA :: 59.532 CB :: 40.209 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.355 HA :: 4.200 HB2 :: 3.046 HB3 :: 3.046 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.495 Ave N Shift Values>> N :: 120.17(4.64) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.38 I 0.01 C Shift Assignments>> C :: 175.928 CA :: 59.435 CB :: 33.919 CG :: 31.670 CE :: 17.801 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.232 HA :: 3.371 HB2 :: 1.680 HB3 :: 1.680 HG2 :: 2.706 HG3 :: 2.706 HE1 :: 1.203 HE2 :: 1.203 HE3 :: 1.203 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.770 Ave N Shift Values>> N :: 120.09(3.57) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.24 I 0.19 P 0.14 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 C Shift Assignments>> C :: 174.539 CA :: 62.460 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.156 HA :: 3.983 HB2 :: 3.688 HB3 :: 3.688 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.897 Ave N Shift Values>> N :: 116.28(3.52) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.618 CA :: 65.916 CB :: 68.082 CG2 :: 20.428 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.842 HA :: 4.463 HB :: 4.166 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.412 Ave N Shift Values>> N :: 115.42(4.75) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.29 R 0.28 C Shift Assignments>> C :: 177.333 CA :: 57.268 CB :: 30.783 CG :: 24.394 CD :: 27.531 CE :: 41.789 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.646 HA :: 4.084 HB2 :: 1.946 HB3 :: 1.797 HG2 :: 1.702 HG3 :: 1.702 HD2 :: 1.639 HD3 :: 1.639 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.631 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.26 A 0.17 C Shift Assignments>> C :: 174.014 CA :: 53.926 CB :: 41.590 CG :: 25.778 CD1 :: 22.479 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.159 HA :: 4.231 HB2 :: 1.520 HB3 :: 1.395 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.460 Ave N Shift Values>> N :: 121.86(3.9) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.22 E 0.14 M 0.11 Y 0.06 F 0.04 K 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 173.589 CA :: 53.588 CB :: 36.584 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.907 HA :: 4.593 HB2 :: 3.058 HB3 :: 2.680 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.765 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 L 0.31 C 0.29 C Shift Assignments>> C :: 174.889 CA :: 54.927 CB :: 40.406 CG :: 26.087 CD1 :: 24.514 CD2 :: 20.659 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.988 HA :: 4.240 HB2 :: 1.853 HB3 :: 1.445 HG :: 0.625 HD11 :: 0.489 HD12 :: 0.489 HD13 :: 0.489 HD21 :: 0.489 HD22 :: 0.489 HD23 :: 0.489 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 111.869 Ave N Shift Values>> N :: 121.86(3.9) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 A 0.37 G 0.11 C 0.11 R 0.01 C Shift Assignments>> C :: 176.800 CA :: 52.038 CB :: 43.184 CG :: 26.568 CD1 :: 25.040 CD2 :: 21.448 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.267 HA :: 5.106 HB2 :: 1.736 HB3 :: 1.206 HG :: 1.235 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.562 HD22 :: 0.562 HD23 :: 0.562 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.079 Ave N Shift Values>> N :: 121.86(3.9) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.21 L 0.19 C 0.05 K 0.05 F 0.04 Y 0.02 R 0.01 C Shift Assignments>> C :: 177.195 CA :: 51.499 CB :: 41.388 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.492 HA :: 4.719 HB2 :: 3.481 HB3 :: 2.671 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.642 Ave N Shift Values>> N :: 120.65(3.86) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.25 I 0.03 C Shift Assignments>> C :: 175.823 CA :: 64.158 CB :: 31.293 CG1 :: 20.194 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.126 HA :: 3.963 HB :: 2.237 HG11 :: 1.036 HG12 :: 1.036 HG13 :: 1.036 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.487 Ave N Shift Values>> N :: 121.14(4.54) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.26 C 0.23 R 0.07 E 0.06 M 0.02 C Shift Assignments>> C :: 175.372 CA :: 55.110 CB :: 28.426 CG :: 34.020 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.004 HA :: 4.458 HB2 :: 2.248 HB3 :: 2.172 HG2 :: 2.358 HG3 :: 2.358 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.357 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.594 CA :: 45.115 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.172 HA2 :: 4.223 HA3 :: 3.526 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.667 Ave N Shift Values>> N :: 109.67(3.87) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.105 CA :: 56.384 CB :: 63.466 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.271 HA :: 4.737 HB2 :: 3.868 HB3 :: 3.744 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.755 Ave N Shift Values>> N :: 116.28(3.52) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 175.198 CA :: 64.641 CB :: 31.379 CG1 :: 22.562 CG2 :: 20.963 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.272 HA :: 3.889 HB :: 1.931 HG11 :: 0.994 HG12 :: 0.994 HG13 :: 0.994 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.547 Ave N Shift Values>> N :: 121.14(4.54) 1.H69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.15 H 0.14 M 0.13 C 0.13 W 0.11 K 0.11 E 0.11 Q 0.08 V 0.01 C Shift Assignments>> C :: 174.978 CA :: 56.415 CB :: 31.314 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.707 HA :: 4.421 HB2 :: 3.096 HB3 :: 2.579 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 133.136(S) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.3 K 0.18 G 0.01 C Shift Assignments>> C :: 175.477 CA :: 60.004 CB :: 29.684 CG :: 26.580 CD :: 42.322 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.275 HA :: 3.851 HB2 :: 1.913 HB3 :: 1.801 HG2 :: 1.537 HG3 :: 1.470 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 131.800 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 176.153 CA :: 47.341 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.388 HA2 :: 4.082 HA3 :: 3.744 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.827 Ave N Shift Values>> N :: 109.67(3.87) 1.N72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.23 E 0.22 N 0.17 M 0.11 Y 0.09 F 0.06 K 0.03 D 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 178.384 CA :: 54.906 CB :: 36.633 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 11.415(S) HA :: 4.520 HB2 :: 2.887 HB3 :: 2.751 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.079 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 C Shift Assignments>> C :: 175.167 CA :: 67.588 CB :: 66.296 CG2 :: 20.796 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.497 HA :: 4.096 HB :: 4.027 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.424 Ave N Shift Values>> N :: 115.42(4.75) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.671 CA :: 66.484 CB :: 30.306 CG1 :: 20.264 CG2 :: 20.056 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.884 HA :: 3.551 HB :: 2.148 HG11 :: 0.710 HG12 :: 0.710 HG13 :: 0.710 HG21 :: 0.390 HG22 :: 0.390 HG23 :: 0.390 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.799 Ave N Shift Values>> N :: 121.14(4.54) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.27 Q 0.23 R 0.05 M 0.03 E 0.02 I 0.01 C Shift Assignments>> C :: 177.396 CA :: 59.258 CB :: 28.896 CG :: 33.323 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.790 HA :: 3.922 HB2 :: 2.110 HB3 :: 2.110 HG2 :: 2.315 HG3 :: 2.315 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.103 Ave N Shift Values>> N :: 120.67(3.48) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.23 Y 0.18 F 0.13 E 0.05 HN Overlap>> 1.S144 1.S144 C Shift Assignments>> C :: 175.662 CA :: 60.714 CB :: 37.550 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.868 HA :: 4.388 HB2 :: 3.421 HB3 :: 3.421 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.081 Ave N Shift Values>> N :: 120.45(4.18) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.18 I 0.03 C 0.01 HN Overlap>> 1.E98 1.A114 1.E98 1.A114 C Shift Assignments>> C :: 180.094 CA :: 55.229 CB :: 16.380 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.614 HA :: 4.019 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.900 Ave N Shift Values>> N :: 123.23(3.54) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.39 R 0.07 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> C :: 179.733 CA :: 58.973 CB :: 30.905 CG :: 24.754 CD :: 28.419 CE :: 41.166 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.781 HA :: 4.199 HB2 :: 1.795 HB3 :: 1.635 HG2 :: 1.200 HG3 :: 1.044 HD2 :: 1.478 HD3 :: 1.478 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.757 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.14 Q 0.13 K 0.1 W 0.1 L 0.09 H 0.09 E 0.08 I 0.05 M 0.01 C Shift Assignments>> C :: 174.465 CA :: 57.383 CB :: 27.791 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.392 HA :: 4.220 HB2 :: 3.111 HB3 :: 2.850 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.617 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.14 K 0.14 W 0.12 E 0.12 R 0.12 C 0.11 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 172.541 CA :: 55.791 CB :: 29.354 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.088 HA :: 4.628 HB2 :: 3.346 HB3 :: 2.441 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.978 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.876 CA :: 44.674 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.350 HA2 :: 4.280 HA3 :: 3.642 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.744 Ave N Shift Values>> N :: 109.67(3.87) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.487 CA :: 59.079 CB :: 64.269 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.033 HA :: 4.185 HB2 :: 3.567 HB3 :: 3.279 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.690 Ave N Shift Values>> N :: 116.28(3.52) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.31 L 0.14 C 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 176.312 CA :: 52.063 CB :: 40.673 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.088 HA :: 4.879 HB2 :: 3.186 HB3 :: 2.825 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.460 Ave N Shift Values>> N :: 120.65(3.86) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 K 0.15 C 0.11 L 0.1 I 0.07 D 0.05 R 0.01 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> C :: 176.127 CA :: 58.403 CB :: 41.088 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.597 HA :: 4.251 HB2 :: 2.666 HB3 :: 2.666 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.556 Ave N Shift Values>> N :: 120.65(3.86) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.33 I 0.03 C 0.01 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 180.081 CA :: 54.899 CB :: 17.427 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.118 HA :: 4.200 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.890 Ave N Shift Values>> N :: 123.23(3.54) 1.M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.2 M 0.17 K 0.16 E 0.01 C Shift Assignments>> C :: 176.306 CA :: 58.858 CB :: 30.640 CG :: 32.776 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.734 HA :: 4.168 HB2 :: 1.985 HB3 :: 1.898 HG2 :: 2.084 HG3 :: 2.351 HE1 :: 1.611 HE2 :: 1.611 HE3 :: 1.611 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.871 Ave N Shift Values>> N :: 120.09(3.57) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.27 C 0.06 L 0.03 V 0.02 I 0.01 C Shift Assignments>> C :: 177.848 CA :: 55.164 CB :: 19.566 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.618 HA :: 3.712 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.409 Ave N Shift Values>> N :: 123.23(3.54) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.17 E 0.11 R 0.09 H 0.08 V 0.08 I 0.07 Q 0.05 K 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 176.908 CA :: 60.154 CB :: 30.308 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.189 HA :: 3.970 HB2 :: 3.073 HB3 :: 3.073 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.860 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.22 Q 0.22 R 0.12 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 177.503 CA :: 59.022 CB :: 27.944 CG :: 33.340 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.132 HA :: 4.326 HB2 :: 2.485 HB3 :: 2.453 HG2 :: 2.608 HG3 :: 2.427 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.299 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.268 CA :: 67.364 CB :: 30.885 CG1 :: 23.761 CG2 :: 20.424 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.600 HA :: 3.803 HB :: 2.636 HG11 :: 1.066 HG12 :: 1.066 HG13 :: 1.066 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.934 Ave N Shift Values>> N :: 121.14(4.54) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 175.562 CA :: 66.801 CB :: 30.426 CG1 :: 23.073 CG2 :: 20.710 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.402 HA :: 3.444 HB :: 2.080 HG11 :: 1.033 HG12 :: 1.033 HG13 :: 1.033 HG21 :: 0.465 HG22 :: 0.465 HG23 :: 0.465 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.430 Ave N Shift Values>> N :: 121.14(4.54) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.15 I 0.09 D 0.06 L 0.05 N 0.02 C Shift Assignments>> C :: 179.156 CA :: 57.578 CB :: 39.268 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.821 HA :: 4.293 HB2 :: 3.165 HB3 :: 2.742 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.702 Ave N Shift Values>> N :: 120.65(3.86) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.269 CA :: 64.785 CB :: 38.569 CG1 :: 28.672 CG2 :: 18.903 CD1 :: 14.148 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.441 HA :: 3.851 HB :: 2.218 HG12 :: 1.056 HG13 :: 1.056 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.218 Ave N Shift Values>> N :: 121.46(4.28) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.39 K 0.04 HN Overlap>> 1.A85 1.A85 C Shift Assignments>> C :: 177.854 CA :: 58.734 CB :: 41.206 CG :: 26.507 CD1 :: 22.940 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.103 HA :: 3.849 HB2 :: 2.062 HB3 :: 1.335 HG :: 1.864 HD11 :: 1.058 HD12 :: 1.058 HD13 :: 1.058 HD21 :: 1.058 HD22 :: 1.058 HD23 :: 1.058 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.826 Ave N Shift Values>> N :: 121.86(3.9) 1.H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 C 0.13 Q 0.12 R 0.12 K 0.1 M 0.04 I 0.02 C Shift Assignments>> C :: 177.031 CA :: 57.438 CB :: 29.827 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.264 HA :: 4.604 HB2 :: 3.236 HB3 :: 3.185 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.667 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.31 I 0.03 C 0.01 C Shift Assignments>> C :: 180.539 CA :: 54.897 CB :: 17.262 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.260 HA :: 4.191 HB1 :: 1.603 HB2 :: 1.603 HB3 :: 1.603 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.102 Ave N Shift Values>> N :: 123.23(3.54) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.26 C 0.15 D 0.09 I 0.06 L 0.06 N 0.05 E 0.01 C Shift Assignments>> C :: 175.731 CA :: 56.976 CB :: 39.149 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.787 HA :: 4.481 HB2 :: 3.468 HB3 :: 3.078 HG :: 1.648 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.963 Ave N Shift Values>> N :: 120.17(4.64) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.1 K 0.09 Q 0.06 M 0.02 HN Overlap>> 1.A77 1.A77 1.A114 1.A114 C Shift Assignments>> C :: 176.466 CA :: 59.021 CB :: 29.581 CG :: 35.888 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.542 HA :: 3.789 HB2 :: 2.267 HB3 :: 2.233 HG2 :: 2.447 HG3 :: 2.447 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.871 Ave N Shift Values>> N :: 120.67(3.48) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.15 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 176.360 CA :: 56.679 CB :: 32.011 CG :: 24.429 CD :: 28.275 CE :: 41.609 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.472 HA :: 4.064 HB2 :: 1.909 HB3 :: 1.877 HG2 :: 1.537 HG3 :: 1.463 HD2 :: 1.660 HD3 :: 1.629 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.641 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 HN Overlap>> 1.H41 1.H41 C Shift Assignments>> C :: 177.295 CA :: 53.661 CB :: 19.144 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.430 HA :: 4.243 HB1 :: 1.579 HB2 :: 1.579 HB3 :: 1.579 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.809 Ave N Shift Values>> N :: 123.23(3.54) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.3 A 0.12 C Shift Assignments>> C :: 170.745 CA :: 57.370 CB :: 69.820 CG2 :: 20.859 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.224 HA :: 4.725 HB :: 4.186 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.520 Ave N Shift Values>> N :: 115.42(4.75) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 175.378 CA :: 62.575 CB :: 31.496 CG :: 26.750 CD :: 49.867 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.406 HB2 :: 2.249 HB3 :: 1.976 HG2 :: 1.888 HG3 :: 1.280 HD2 :: 3.531 HD3 :: 3.515 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.14 K 0.08 F 0.06 C 0.05 Y 0.04 R 0.01 HN Overlap>> 1.N143 1.Y16 1.N143 1.Y16 C Shift Assignments>> C :: 173.565 CA :: 53.249 CB :: 41.301 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.190 HA :: 4.541 HB2 :: 2.856 HB3 :: 2.668 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.981 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.31 K 0.12 Q 0.1 I 0.04 M 0.04 C Shift Assignments>> C :: 175.286 CA :: 57.340 CB :: 29.617 CG :: 35.901 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.709 HA :: 4.132 HB2 :: 2.114 HB3 :: 1.961 HG2 :: 2.485 HG3 :: 2.318 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.505 Ave N Shift Values>> N :: 120.67(3.48) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.3 L 0.14 C 0.05 F 0.05 Y 0.03 K 0.02 HN Overlap>> 1.A28 1.A28 1.H122 1.H122 C Shift Assignments>> C :: 175.857 CA :: 52.157 CB :: 40.687 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.619 HA :: 4.702 HB2 :: 2.876 HB3 :: 2.558 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.569 Ave N Shift Values>> N :: 120.65(3.86) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.3 R 0.3 C Shift Assignments>> C :: 178.672 CA :: 57.639 CB :: 31.116 CG :: 24.507 CD :: 27.684 CE :: 42.059 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.800 HA :: 4.063 HB2 :: 1.922 HB3 :: 1.830 HG2 :: 1.642 HG3 :: 1.642 HD2 :: 2.140 HD3 :: 2.140 HE2 :: 2.342 HE3 :: 2.342 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.695 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 F 0.03 R 0.02 Y 0.01 L 0.01 C Shift Assignments>> C :: 174.943 CA :: 60.953 CB :: 44.937 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.111 HA :: 4.199 HB2 :: 3.766 HB3 :: 2.919 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.129 Ave N Shift Values>> N :: 120.17(4.64) 1.M108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.29 A 0.05 C Shift Assignments>> C :: 178.687 CA :: 55.270 CB :: 29.227 CG :: 31.241 CE :: 15.077 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.536 HA :: 4.509 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 2.465 HG3 :: 2.787 HE1 :: 1.660 HE2 :: 1.660 HE3 :: 1.660 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.428 Ave N Shift Values>> N :: 120.09(3.57) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.36 C Shift Assignments>> C :: 176.657 CA :: 57.376 CB :: 41.605 CG :: 26.024 CD1 :: 24.724 CD2 :: 23.407 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.686 HA :: 4.223 HB2 :: 2.003 HB3 :: 1.603 HG :: 1.753 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 HD21 :: 0.131 HD22 :: 0.131 HD23 :: 0.131 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.050 Ave N Shift Values>> N :: 121.86(3.9) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.04 C 0.02 C Shift Assignments>> C :: 178.024 CA :: 55.244 CB :: 18.141 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.477 HA :: 3.966 HB1 :: 1.519 HB2 :: 1.519 HB3 :: 1.519 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.161 Ave N Shift Values>> N :: 123.23(3.54) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.39 R 0.03 G 0.02 C Shift Assignments>> C :: 177.100 CA :: 58.569 CB :: 42.583 CG :: 26.457 CD1 :: 25.211 CD2 :: 24.052 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.440 HA :: 3.821 HB2 :: 1.975 HB3 :: 1.573 HG :: 1.516 HD11 :: 1.042 HD12 :: 1.042 HD13 :: 1.042 HD21 :: 0.685 HD22 :: 0.685 HD23 :: 0.685 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.125 Ave N Shift Values>> N :: 121.86(3.9) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.491 CA :: 61.482 CB :: 62.548 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.169 HA :: 4.155 HB2 :: 3.972 HB3 :: 3.914 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.427 Ave N Shift Values>> N :: 116.28(3.52) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 176.341 CA :: 65.684 CB :: 37.453 CG1 :: 28.791 CG2 :: 17.692 CD1 :: 14.728 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.004 HA :: 3.613 HB :: 1.813 HG12 :: 1.077 HG13 :: 1.077 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 HD11 :: 0.194 HD12 :: 0.194 HD13 :: 0.194 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.322 Ave N Shift Values>> N :: 121.46(4.28) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.25 I 0.06 C 0.02 HN Overlap>> 1.A77 1.E98 1.A77 1.E98 C Shift Assignments>> C :: 178.502 CA :: 55.733 CB :: 17.878 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.605 HA :: 4.020 HB1 :: 1.547 HB2 :: 1.547 HB3 :: 1.547 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.869 Ave N Shift Values>> N :: 123.23(3.54) 1.M115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.34 A 0.19 C Shift Assignments>> C :: 177.946 CA :: 56.057 CB :: 30.172 CG :: 31.241 CE :: 18.575 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.228 HA :: 4.640 HB2 :: 2.289 HB3 :: 2.143 HG2 :: 3.083 HG3 :: 2.675 HE1 :: 1.276 HE2 :: 1.276 HE3 :: 1.276 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.716 Ave N Shift Values>> N :: 120.09(3.57) 1.C116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 I 0.2 C 0.16 L 0.02 D 0.01 C Shift Assignments>> C :: 174.362 CA :: 59.148 CB :: 39.156 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.228 HA :: 4.424 HB2 :: 3.517 HB3 :: 3.456 HG :: 1.805 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.572 Ave N Shift Values>> N :: 120.17(4.64) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 Y 0.24 F 0.23 C 0.15 C Shift Assignments>> C :: 175.179 CA :: 60.617 CB :: 39.501 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.381 HA :: 4.139 HB2 :: 3.504 HB3 :: 3.141 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.679 Ave N Shift Values>> N :: 120.45(4.18) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 G 0.01 C Shift Assignments>> C :: 176.812 CA :: 59.170 CB :: 33.068 CG :: 24.883 CD :: 29.084 CE :: 42.313 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.750 HA :: 4.035 HB2 :: 2.005 HB3 :: 1.974 HG2 :: 1.655 HG3 :: 1.655 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.177 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.288 CA :: 54.902 CB :: 17.671 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.568 HA :: 4.272 HB1 :: 1.641 HB2 :: 1.641 HB3 :: 1.641 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.700 Ave N Shift Values>> N :: 123.23(3.54) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 E 0.21 K 0.2 M 0.03 I 0.03 R 0.01 C Shift Assignments>> C :: 177.794 CA :: 57.963 CB :: 29.293 CG :: 34.827 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.937 HA :: 4.080 HB2 :: 2.011 HB3 :: 2.011 HG2 :: 2.551 HG3 :: 2.431 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.808 Ave N Shift Values>> N :: 120.67(3.48) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.02 V 0.02 C Shift Assignments>> C :: 178.693 CA :: 60.826 CB :: 33.717 CG1 :: 25.635 CG2 :: 18.440 CD1 :: 17.375 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.521 HA :: 3.673 HB :: 2.290 HG12 :: 1.209 HG13 :: 1.209 HG21 :: 0.533 HG22 :: 0.533 HG23 :: 0.533 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.847 Ave N Shift Values>> N :: 121.46(4.28) 1.H122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 C 0.21 W 0.12 K 0.07 R 0.07 E 0.06 Q 0.05 H 0.04 P 0.03 L 0.01 HN Overlap>> 1.A28 1.D105 1.A28 1.D105 C Shift Assignments>> C :: 178.341 CA :: 60.377 CB :: 28.145 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.644 HA :: 4.339 HB2 :: 3.304 HB3 :: 3.304 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.629 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 176.985 CA :: 59.273 CB :: 31.831 CG :: 24.767 CD :: 29.062 CE :: 41.489 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.676 HA :: 3.994 HB2 :: 1.931 HB3 :: 1.826 HG2 :: 1.426 HG3 :: 1.149 HD2 :: 1.671 HD3 :: 1.671 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.851 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.49 A 0.25 C 0.24 C Shift Assignments>> C :: 174.319 CA :: 54.465 CB :: 41.179 CG :: 26.710 CD1 :: 24.327 CD2 :: 21.377 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.998 HA :: 3.767 HB2 :: 0.786 HB3 :: -0.110(S) HD11 :: 0.319 HD12 :: 0.319 HD13 :: 0.319 HD21 :: 0.319 HD22 :: 0.319 HD23 :: 0.319 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.281 Ave N Shift Values>> N :: 121.86(3.9) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.23 F 0.12 Y 0.11 C 0.09 L 0.09 HN Overlap>> 1.T3 1.T3 1.T29 1.T29 C Shift Assignments>> C :: 175.959 CA :: 54.342 CB :: 39.368 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.919 HA :: 4.559 HB2 :: 3.323 HB3 :: 2.489 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.921 Ave N Shift Values>> N :: 120.65(3.86) 1.W126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 C 0.15 M 0.12 Q 0.11 W 0.11 E 0.07 K 0.05 C Shift Assignments>> C :: 172.963 CA :: 53.196 CB :: 30.496 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.560 HA :: 4.807 HB2 :: 3.253 HB3 :: 2.850 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 115.867 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 G 0.23 M 0.03 C Shift Assignments>> C :: 173.950 CA :: 48.511 CB :: 17.944 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.375 HA :: 3.239 HB1 :: 0.892 HB2 :: 0.892 HB3 :: 0.892 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.638 Ave N Shift Values>> N :: 123.23(3.54) 1.P128 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.18 W 0.15 I 0.13 K 0.12 E 0.1 Q 0.1 H 0.08 R 0.06 L 0.01 M 0.01 C Shift Assignments>> C :: 177.785 CA :: 59.253 CB :: 28.591 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.838 HB2 :: 1.862 HB3 :: 1.618 HG2 :: 0.526(S) HG3 :: 0.148(S) HD2 :: 3.268 HD3 :: 3.268 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.23 K 0.2 D 0.19 F 0.11 Y 0.08 C 0.05 R 0.05 N 0.02 C Shift Assignments>> C :: 176.874 CA :: 55.696 CB :: 41.670 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.777 HA :: 4.268 HB2 :: 1.635(S) HB3 :: 1.635(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.971 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 M 0.2 Q 0.18 K 0.14 E 0.12 H 0.02 R 0.02 Y 0.02 W 0.01 V 0.01 C Shift Assignments>> C :: 175.551 CA :: 56.248 CB :: 34.713 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.749 HA :: 4.489 HB2 :: 2.859 HB3 :: 2.151 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.930 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E131 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.17 L 0.11 N 0.09 M 0.08 A 0.07 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 HN Overlap>> 1.F134 1.F134 C Shift Assignments>> C :: 175.874 CA :: 54.656 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.077 HA :: 4.329 HB2 :: 0.935(S) HB3 :: 0.935(S) HG2 :: 1.651 HG3 :: 1.651 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.136 Ave N Shift Values>> N :: 120.67(3.48) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.23 A 0.05 HN Overlap>> 1.M133 1.M133 C Shift Assignments>> C :: 175.872 CA :: 54.529 CB :: 41.696 CG :: 26.563 CD1 :: 24.671 CD2 :: 22.946 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.881 HA :: 4.312 HB2 :: 1.637 HB3 :: 1.516 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.660 Ave N Shift Values>> N :: 121.86(3.9) 1.M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.31 Q 0.16 K 0.1 HN Overlap>> 1.L132 1.L132 C Shift Assignments>> C :: 174.466 CA :: 55.273 CB :: 32.243 CG :: 31.061 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.885 HA :: 4.328 HB2 :: 1.894 HB3 :: 1.894 HG2 :: 2.392 HG3 :: 2.392 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.625 Ave N Shift Values>> N :: 120.09(3.57) 1.F134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.18 N 0.08 D 0.07 I 0.06 E 0.04 L 0.03 M 0.01 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> C :: 174.004 CA :: 56.658 CB :: 38.502 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.033 HA :: 4.707 HB2 :: 3.346 HB3 :: 3.245 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.086 Ave N Shift Values>> N :: 120.45(4.18) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 M 0.27 Q 0.06 K 0.01 C Shift Assignments>> C :: 172.968 CA :: 56.306 CB :: 31.700 CG :: 35.782 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.092 HA :: 4.432 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 2.459 HG3 :: 2.459 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.582 Ave N Shift Values>> N :: 120.67(3.48) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.15 H 0.14 R 0.14 K 0.11 W 0.08 Q 0.06 E 0.05 C Shift Assignments>> C :: 173.500 CA :: 53.763 CB :: 31.784 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.618 HA :: 4.343 HB2 :: 1.977 HB3 :: 1.595 HG3 :: 2.886 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.930 Ave N Shift Values>> N :: 120.67(3.48) 1.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.24 A 0.03 HN Overlap>> 1.D140 1.V138 1.D140 1.V138 C Shift Assignments>> C :: 175.828 CA :: 54.778 CB :: 41.875 CG :: 26.423 CD1 :: 23.827 CD2 :: 23.236 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.276 HA :: 4.440 HB2 :: 1.606 HB3 :: 1.606 HG :: 1.290 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.503 Ave N Shift Values>> N :: 121.86(3.9) 1.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.4 M 0.01 HN Overlap>> 1.L137 1.D140 1.L137 1.D140 C Shift Assignments>> C :: 174.959 CA :: 61.789 CB :: 32.586 CG1 :: 20.204 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.280 HA :: 4.162 HB :: 2.086 HG11 :: 0.936 HG12 :: 0.936 HG13 :: 0.936 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.476 Ave N Shift Values>> N :: 121.14(4.54) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.285 CA :: 57.677 CB :: 63.369 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.250 HA :: 4.382 HB2 :: 3.843 HB3 :: 3.756 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.987 Ave N Shift Values>> N :: 116.28(3.52) 1.D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 F 0.16 Y 0.13 K 0.09 C 0.07 N 0.07 I 0.01 HN Overlap>> 1.L137 1.L137 1.V138 1.V138 C Shift Assignments>> C :: 176.195 CA :: 55.586 CB :: 40.787 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.252 HA :: 4.442 HB2 :: 2.699 HB3 :: 2.526 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.469 Ave N Shift Values>> N :: 120.65(3.86) 1.M141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.32 Q 0.2 K 0.07 E 0.01 C Shift Assignments>> C :: 175.660 CA :: 57.632 CB :: 32.913 CG :: 31.281 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.047 HA :: 3.937 HB2 :: 1.649 HB3 :: 1.498 HG2 :: 1.846 HG3 :: 1.846 HE1 :: 1.386 HE2 :: 1.386 HE3 :: 1.386 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.002 Ave N Shift Values>> N :: 120.09(3.57) 1.W142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 E 0.13 K 0.13 W 0.13 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 175.069 CA :: 56.290 CB :: 29.501 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.656 HA :: 5.000 HB2 :: 3.393 HB3 :: 3.176 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.724 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.17 C 0.09 F 0.06 Y 0.06 L 0.04 HN Overlap>> 1.N103 1.N103 C Shift Assignments>> C :: 173.299 CA :: 53.009 CB :: 38.808 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.259 HA :: 4.880 HB2 :: 2.929 HB3 :: 2.808 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.931 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F76 1.F76 C Shift Assignments>> C :: 177.633 CA :: 59.627 CB :: 64.470 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.896 HA :: 4.304 HB2 :: 3.892 HB3 :: 3.892 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.146 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 136 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 142 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 144 #Suspicious: 0 C Shift Results: #Consistent: 552 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 843 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 137 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.E27 HG2 = 3.191(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.1561e-05 1.E39 N = 132.606(S), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0384e-04 1.H69 N = 133.136(S), Expected = 119.69, Std = 4.0000, ChiSquare = 7.7520e-04 1.N72 H = 11.415(S), Expected = 8.34, Std = 0.6300, ChiSquare = 1.0557e-06 1.L124 HB3 = -0.110(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.9607e-06 1.P128 Typing: Suspicious 1.P128 HG2 = 0.526(S), Expected = 1.93, Std = 0.3100, ChiSquare = 5.9254e-06 1.P128 HG3 = 0.148(S), Expected = 1.90, Std = 0.3300, ChiSquare = 1.1017e-07 1.N129 HB2 = 1.635(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.5045e-04 1.N129 HB3 = 1.635(S), Expected = 2.75, Std = 0.3300, ChiSquare = 7.2806e-04 1.E131 HB2 = 0.935(S), Expected = 2.02, Std = 0.2100, ChiSquare = 2.3831e-07 1.E131 HB3 = 0.935(S), Expected = 1.99, Std = 0.2300, ChiSquare = 4.4975e-06