Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 177.422 CA :: 55.349 CB :: 42.350 CG :: 26.819 CD1 :: 24.830 CD2 :: 23.468 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.881 HA :: 4.206 HB2 :: 1.527 HB3 :: 1.469 HG :: 1.477 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.393 Ave N Shift Values>> N :: 121.98(4.07) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.11 M 0.07 R 0.05 HN Overlap>> 1.A39 1.A39 C Shift Assignments>> C :: 175.921 CA :: 55.977 CB :: 29.294 CG :: 33.792 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.246 HA :: 4.182 HB2 :: 1.965 HB3 :: 1.860 HG2 :: 2.223 HG3 :: 2.223 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.780 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.13 G 0.06 C Shift Assignments>> C :: 175.962 CA :: 55.922 CB :: 31.083 CG :: 26.982 CD :: 43.244 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.180 HA :: 4.189 HB2 :: 1.733 HB3 :: 1.630 HG2 :: 1.503 HG3 :: 1.503 HD2 :: 3.063 HD3 :: 3.063 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.040 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.490 CA :: 52.592 CB :: 19.400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.288 HA :: 4.190 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.104 Ave N Shift Values>> N :: 123.23(3.7) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.279 CA :: 53.356 CB :: 39.012 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.354 HA :: 4.593 HB2 :: 2.748 HB3 :: 2.677 HD21 :: 6.850 HD22 :: 7.538 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.971 ND2 :: 113.270 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D83 1.D83 C Shift Assignments>> C :: 174.433 CA :: 58.488 CB :: 63.947 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.200 HA :: 4.360 HB2 :: 3.841 HB3 :: 3.841 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.740 Ave N Shift Values>> N :: 116.3(3.95) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 K 0.11 C 0.11 F 0.1 N 0.09 Y 0.08 R 0.02 HN Overlap>> 1.L52 1.L52 C Shift Assignments>> C :: 176.603 CA :: 54.694 CB :: 40.950 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.352 HA :: 4.556 HB2 :: 2.654 HB3 :: 2.571 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.414 Ave N Shift Values>> N :: 120.73(4.2) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.378 CA :: 62.064 CB :: 69.652 CG2 :: 21.466 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.934 HA :: 4.194 HB :: 4.146 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.340 Ave N Shift Values>> N :: 115.7(5.05) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.12 C 0.11 N 0.09 F 0.09 Y 0.08 R 0.02 HN Overlap>> 1.R34 1.R34 C Shift Assignments>> C :: 176.057 CA :: 54.530 CB :: 41.019 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.202 HA :: 4.507 HB2 :: 2.606 HB3 :: 2.517 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.584 Ave N Shift Values>> N :: 120.73(4.2) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.06 G 0.02 A 0.01 C Shift Assignments>> C :: 177.381 CA :: 55.322 CB :: 42.351 CG :: 26.873 CD1 :: 24.912 CD2 :: 23.468 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.991 HA :: 4.216 HB2 :: 1.529 HB3 :: 1.468 HG :: 1.485 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.329 Ave N Shift Values>> N :: 121.98(4.07) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.548 CA :: 62.637 CB :: 32.502 CG1 :: 21.098 CG2 :: 20.744 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.065 HA :: 4.039 HB :: 1.985 HG11 :: 0.828 HG12 :: 0.828 HG13 :: 0.828 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.478 Ave N Shift Values>> N :: 121.02(4.96) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.706 CA :: 61.681 CB :: 69.843 CG2 :: 21.466 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.158 HA :: 4.292 HB :: 4.169 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.715 Ave N Shift Values>> N :: 115.7(5.05) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.610 CA :: 58.652 CB :: 63.729 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.244 HA :: 4.339 HB2 :: 3.807 HB3 :: 3.732 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.920 Ave N Shift Values>> N :: 116.3(3.95) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.07 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.303 CA :: 56.605 CB :: 30.264 CG :: 36.312 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.335 HA :: 4.216 HB2 :: 1.971 HB3 :: 1.828 HG2 :: 2.190 HG3 :: 2.138 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.567 Ave N Shift Values>> N :: 120.68(3.68) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.065 CA :: 58.090 CB :: 63.511 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.189 HA :: 4.350 HB2 :: 3.748 HB3 :: 3.748 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.404 Ave N Shift Values>> N :: 116.3(3.95) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.14 G 0.07 HN Overlap>> 1.D27 1.D27 C Shift Assignments>> C :: 176.057 CA :: 54.940 CB :: 32.202 CG :: 26.900 CD :: 43.272 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.142 HA :: 4.469 HB2 :: 1.862 HB3 :: 1.636 HG2 :: 1.567 HG3 :: 1.567 HD2 :: 3.111 HD3 :: 3.111 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.619 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.464 CA :: 59.907 CB :: 63.511 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.236 HA :: 4.749 HB2 :: 3.930 HB3 :: 3.712 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.444 Ave N Shift Values>> N :: 116.3(3.95) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.71 T 0.28 C Shift Assignments>> C :: 170.966 CA :: 56.933 CB :: 66.895 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.241 HA :: 4.647 HB2 :: 3.657 HB3 :: 3.657 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.596 Ave N Shift Values>> N :: 116.3(3.95) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.44 L 0.06 HN Overlap>> 1.I54 1.I54 C Shift Assignments>> C :: 175.156 CA :: 53.629 CB :: 46.713 CD1 :: 26.955 CD2 :: 26.437 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.537 HA :: 5.279 HB2 :: 1.596 HB3 :: 0.896 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 1.188 HD22 :: 1.188 HD23 :: 1.188 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.483 Ave N Shift Values>> N :: 121.98(4.07) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 T 0.36 C Shift Assignments>> C :: 172.140 CA :: 59.744 CB :: 73.118 CG2 :: 22.828 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.132 HA :: 4.783 HB :: 4.321 HG21 :: 1.134 HG22 :: 1.134 HG23 :: 1.134 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.570 Ave N Shift Values>> N :: 115.7(5.05) 1.A39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.38 C 0.24 L 0.21 G 0.04 K 0.04 A 0.03 M 0.02 R 0.01 HN Overlap>> 1.Q20 1.Q20 C Shift Assignments>> C :: 177.749 CA :: 49.426 CB :: 24.232 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.318 HA :: 5.725(S) HB1 :: 0.944 HB2 :: 0.944 HB3 :: 0.944 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.695 Ave N Shift Values>> N :: 123.23(3.7) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.901 CA :: 59.853 CB :: 62.610 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.041 HA :: 4.148 HB2 :: 4.025 HB3 :: 4.025 HG :: 6.265 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.948 Ave N Shift Values>> N :: 116.3(3.95) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.35 A 0.21 I 0.02 C Shift Assignments>> C :: 172.495 CA :: 54.858 CB :: 35.545 CG :: 30.850 CE :: 16.920 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 6.981 HA :: 4.449 HB2 :: 2.389 HB3 :: 2.012 HG2 :: 2.409 HG3 :: 2.409 HE1 :: 2.017 HE2 :: 2.017 HE3 :: 2.017 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.774 Ave N Shift Values>> N :: 120.1(3.88) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 174.529 CA :: 59.143 CB :: 38.016 CD1 :: 133.283 CD2 :: 133.283 CE1 :: 119.182 CE2 :: 119.182 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.592 HA :: 4.708 HB2 :: 3.773 HB3 :: 2.531 HD1 :: 7.135 HD2 :: 7.135 HE1 :: 6.675 HE2 :: 6.675 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 112.744 Ave N Shift Values>> N :: 120.79(4.69) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.21 E 0.19 C Shift Assignments>> C :: 174.010 CA :: 55.322 CB :: 33.103 CG :: 36.707 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.366 HA :: 5.179 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 2.170 HG3 :: 2.108 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.269 Ave N Shift Values>> N :: 120.68(3.68) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.38 G 0.08 C Shift Assignments>> C :: 173.478 CA :: 57.205 CB :: 42.929 CD1 :: 132.734 CD2 :: 132.734 CE1 :: 119.604 CE2 :: 119.604 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.775 HA :: 4.502 HB2 :: 2.596 HB3 :: 2.354 HD1 :: 6.768 HD2 :: 6.768 HE1 :: 6.894 HE2 :: 6.894 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.313 Ave N Shift Values>> N :: 120.79(4.69) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.123 CA :: 61.436 CB :: 69.407 CG2 :: 20.976 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.386 HA :: 4.756 HB :: 3.784 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 126.909 Ave N Shift Values>> N :: 115.7(5.05) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.31 R 0.09 G 0.01 C Shift Assignments>> C :: 177.695 CA :: 57.041 CB :: 42.043 CG :: 26.690 CD1 :: 26.083 CD2 :: 23.631 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.467 HA :: 3.945 HB2 :: 1.699 HB3 :: 1.270 HG :: 1.500 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.497 HD22 :: 0.497 HD23 :: 0.497 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.109 Ave N Shift Values>> N :: 121.98(4.07) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 174.979 CA :: 45.004 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.981 HA2 :: 4.148 HA3 :: 3.568 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.007 Ave N Shift Values>> N :: 109.91(4.29) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 C 0.25 R 0.16 Q 0.16 M 0.11 E 0.01 C Shift Assignments>> C :: 175.634 CA :: 55.458 CB :: 29.036 CG :: 32.185 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.057 HA :: 4.237 HB2 :: 2.114 HB3 :: 2.114 HG2 :: 1.934 HG3 :: 1.934 HE21 :: 6.426 HE22 :: 8.066 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.873 NE2 :: 115.111 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.4 C 0.03 I 0.01 C Shift Assignments>> C :: 178.746 CA :: 54.312 CB :: 18.854 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.474 HA :: 4.030 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.100 Ave N Shift Values>> N :: 123.23(3.7) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.11 M 0.07 R 0.04 C Shift Assignments>> C :: 176.043 CA :: 55.977 CB :: 29.308 CG :: 33.833 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.069 HA :: 4.203 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 2.329 HG3 :: 2.329 HE21 :: 6.840 HE22 :: 7.501 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.558 NE2 :: 112.627 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.25 C 0.14 Y 0.07 F 0.07 L 0.06 C Shift Assignments>> C :: 175.020 CA :: 53.166 CB :: 39.436 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.550 HA :: 4.865 HB2 :: 2.553 HB3 :: 2.553 HD21 :: 7.029 HD22 :: 7.250 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.721 ND2 :: 112.883 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.24 G 0.21 R 0.09 HN Overlap>> 1.D25 1.D25 C Shift Assignments>> C :: 174.406 CA :: 55.240 CB :: 44.185 CG :: 27.118 CD1 :: 26.001 CD2 :: 25.075 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.248 HA :: 4.100 HB2 :: 1.657 HB3 :: 1.432 HG :: 1.324 HD11 :: 0.587 HD12 :: 0.587 HD13 :: 0.587 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.414 Ave N Shift Values>> N :: 121.98(4.07) 1.I53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.105 CA :: 60.044 CB :: 40.057 CG1 :: 27.514 CG2 :: 18.660 CD1 :: 13.267 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.915 HA :: 4.374 HB :: 1.123 HG12 :: 1.373 HG13 :: 0.716 HG21 :: -0.185(S) HG22 :: -0.185(S) HG23 :: -0.185(S) HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.538 Ave N Shift Values>> N :: 121.6(4.72) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.26 A 0.08 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 174.556 CA :: 57.287 CB :: 37.252 CG1 :: 27.520 CG2 :: 18.061 CD1 :: 10.488 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.535 HA :: 4.721 HB :: 1.869 HG12 :: 0.820 HG13 :: 0.255 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 HD11 :: -0.178 HD12 :: -0.178 HD13 :: -0.178 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.500 Ave N Shift Values>> N :: 121.6(4.72) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.31 C 0.28 C Shift Assignments>> C :: 176.235 CA :: 56.031 CB :: 40.364 CD1 :: 130.772 CD2 :: 130.772 CE1 :: 129.275 CE2 :: 129.275 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.996 HA :: 5.003 HB2 :: 2.906 HB3 :: 2.811 HD1 :: 6.848 HD2 :: 6.848 HE1 :: 7.013 HE2 :: 7.013 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.457 Ave N Shift Values>> N :: 120.69(4.18) 1.W56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.34 H 0.05 C Shift Assignments>> C :: 174.610 CA :: 55.758 CB :: 33.321 CD1 :: 128.593 CE3 :: 120.211 CZ2 :: 114.211 CZ3 :: 121.711 CH2 :: 124.862 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.747 HA :: 5.607 HB2 :: 3.032 HB3 :: 2.772 HD1 :: 6.971 HE1 :: 9.457 HE3 :: 7.157 HZ2 :: 7.605 HZ3 :: 6.665 HH2 :: 7.383 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.984 NE1 :: 130.957 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.17 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 174.365 CA :: 53.984 CB :: 40.895 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.163 HA :: 4.863 HB2 :: 2.864 HB3 :: 2.313 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.716 Ave N Shift Values>> N :: 120.73(4.2) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.07 I 0.04 C Shift Assignments>> C :: 176.958 CA :: 57.287 CB :: 36.652 CG1 :: 26.165 CG2 :: 16.971 CD1 :: 8.091 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.281 HA :: 4.244 HB :: 1.984 HG12 :: 0.071 HG13 :: 1.334 HG21 :: 0.635 HG22 :: 0.635 HG23 :: 0.635 HD11 :: -0.151 HD12 :: -0.151 HD13 :: -0.151 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.764 Ave N Shift Values>> N :: 121.6(4.72) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.3 K 0.28 G 0.01 C Shift Assignments>> C :: 178.009 CA :: 54.967 CB :: 31.574 CG :: 24.646 CD :: 27.064 CE :: 42.481 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.283 HA :: 4.136 HB2 :: 1.760 HB3 :: 1.523 HG2 :: 1.193 HG3 :: 1.053 HD2 :: 1.304 HD3 :: 1.179 HE2 :: 2.634 HE3 :: 2.458 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.160 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 I 0.13 K 0.05 M 0.02 C Shift Assignments>> C :: 173.164 CA :: 57.069 CB :: 29.445 CG :: 37.244 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.959 HA :: 4.107 HB2 :: 1.883 HB3 :: 1.488 HG2 :: 2.309 HG3 :: 1.981 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.277 Ave N Shift Values>> N :: 120.68(3.68) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 I 0.08 M 0.06 Q 0.04 C Shift Assignments>> C :: 176.753 CA :: 57.533 CB :: 29.882 CG :: 36.244 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.856 HA :: 4.111 HB2 :: 1.883 HB3 :: 1.698 HG2 :: 2.162 HG3 :: 2.162 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.677 Ave N Shift Values>> N :: 120.68(3.68) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.14 I 0.07 C Shift Assignments>> CA :: 59.507 CB :: 36.257 CG1 :: 22.065 CG2 :: 18.796 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.211 HA :: 4.817 HB :: 1.849 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 0.500 HG22 :: 0.500 HG23 :: 0.500 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.719 Ave N Shift Values>> N :: 121.02(4.96) 1.D63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.71 C 0.22 L 0.05 C Shift Assignments>> CA :: 52.833 CB :: 47.112(S) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 5.290 HB2 :: 2.570 HB3 :: 2.633 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> C :: 176.890 CA :: 64.739 CB :: 32.025 CG :: 27.936 CD :: 51.532 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.022 HB2 :: 2.317 HB3 :: 1.835 HG2 :: 2.039 HG3 :: 1.997 HD2 :: 3.598 HD3 :: 3.996 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.737 CA :: 59.579 CB :: 63.783 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.007 HA :: 4.403 HB2 :: 3.937 HB3 :: 3.684 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.595 Ave N Shift Values>> N :: 116.3(3.95) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.15 F 0.14 C 0.13 Y 0.13 K 0.09 N 0.08 I 0.01 R 0.01 C Shift Assignments>> C :: 173.600 CA :: 55.486 CB :: 40.542 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.068 HA :: 4.489 HB2 :: 2.587 HB3 :: 2.352 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.513 Ave N Shift Values>> N :: 120.73(4.2) 1.W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.42 H 0.02 C Shift Assignments>> C :: 171.976 CA :: 54.612 CB :: 30.919 CD1 :: 128.610 CZ2 :: 113.170 CH2 :: 124.262 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.703 HA :: 4.837 HB2 :: 3.050 HB3 :: 2.899 HD1 :: 6.978 HZ2 :: 6.912 HH2 :: 7.216 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 114.157 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 G 0.09 I 0.08 A 0.03 HN Overlap>> 1.F116 1.F116 C Shift Assignments>> C :: 175.907 CA :: 58.407 CB :: 42.890 CG1 :: 28.943 CG2 :: 20.022 CD1 :: 15.473 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.384 HA :: 5.327 HB :: 1.550 HG12 :: 1.245 HG13 :: 0.627 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.166 Ave N Shift Values>> N :: 121.6(4.72) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.12 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 169.953 CA :: 43.596 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.243 HA2 :: 5.212 HA3 :: 3.746 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.812 Ave N Shift Values>> N :: 109.91(4.29) 1.L70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.41 C 0.27 L 0.18 R 0.12 C Shift Assignments>> C :: 174.801 CA :: 55.076 CB :: 44.879 CG :: 27.336 CD1 :: 27.854 CD2 :: 24.912 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.265 HA :: 3.912 HB2 :: 0.992 HB3 :: 1.478 HG :: 0.398(S) HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.058 Ave N Shift Values>> N :: 121.98(4.07) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.19 K 0.18 C 0.1 D 0.1 F 0.08 Y 0.06 G 0.01 C Shift Assignments>> C :: 174.692 CA :: 56.194 CB :: 42.468 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.876 HA :: 4.185 HB2 :: 2.863 HB3 :: 2.187 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.083 Ave N Shift Values>> N :: 120.79(4.69) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 H 0.31 Y 0.21 C Shift Assignments>> C :: 178.009 CA :: 58.460 CD2 :: 121.312 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.508 HA :: 3.801 HD2 :: 6.498 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.116 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> CA :: 61.781 CB :: 38.995 CG1 :: 27.445 CG2 :: 18.796 CD1 :: 14.193 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.171 HA :: 3.770 HB :: 1.132 HG12 :: 1.143 HG13 :: 1.032 HG21 :: 0.451 HG22 :: 0.451 HG23 :: 0.451 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.530 Ave N Shift Values>> N :: 121.6(4.72) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.26 L 0.2 K 0.14 C 0.1 F 0.07 N 0.07 Y 0.06 R 0.04 C Shift Assignments>> C :: 175.948 CA :: 54.339 CB :: 41.401 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.674 HB2 :: 2.797 HB3 :: 2.586 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.14 R 0.14 C 0.13 H 0.13 W 0.11 K 0.11 E 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 175.020 CA :: 56.141 CB :: 31.356 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.625 HA :: 4.053 HB2 :: 2.149 HB3 :: 1.971 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.872 Ave N Shift Values>> N :: 120.68(3.68) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.23 L 0.13 C 0.11 F 0.06 Y 0.06 K 0.04 HN Overlap>> 1.L126 1.L126 C Shift Assignments>> C :: 175.975 CA :: 53.138 CB :: 40.527 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.306 HA :: 4.558 HB2 :: 2.681 HB3 :: 2.572 HD21 :: 6.806 HD22 :: 7.353 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.708 ND2 :: 113.770 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.448 CB :: 63.538 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.536 HA :: 4.898 HB2 :: 3.864 HB3 :: 3.864 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.218 Ave N Shift Values>> N :: 116.3(3.95) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.664 CA :: 64.793 CB :: 32.011 CG :: 27.418 CD :: 51.287 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.142 HB2 :: 1.814 HB3 :: 1.814 HG2 :: 2.061 HG3 :: 1.994 HD2 :: 3.872 HD3 :: 4.127 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.3 C 0.02 C Shift Assignments>> C :: 178.159 CA :: 53.384 CB :: 18.582 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.738 HA :: 4.263 HB1 :: 1.242 HB2 :: 1.242 HB3 :: 1.242 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.911 Ave N Shift Values>> N :: 123.23(3.7) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.31 M 0.06 E 0.04 Y 0.04 D 0.02 F 0.01 K 0.01 C Shift Assignments>> C :: 173.860 CA :: 51.828 CB :: 36.515 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.430 HA :: 4.783 HB2 :: 3.114 HB3 :: 2.552 HD21 :: 6.812 HD22 :: 7.400 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.345 ND2 :: 110.377 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 F 0.38 Y 0.21 C Shift Assignments>> C :: 176.084 CA :: 55.785 CB :: 37.769 CD1 :: 131.726 CD2 :: 131.726 CE1 :: 131.580 CE2 :: 131.508 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.370 HA :: 3.677 HB2 :: 3.065 HB3 :: 2.544 HD1 :: 7.134 HD2 :: 7.134 HE1 :: 7.245 HE2 :: 7.245 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.361 Ave N Shift Values>> N :: 120.69(4.18) 1.W82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 W 0.36 C Shift Assignments>> C :: 176.139 CA :: 54.994 CB :: 30.523 CD1 :: 122.583 CE3 :: 120.712 CZ2 :: 114.101 CH2 :: 124.162 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.017 HA :: 4.708 HB2 :: 2.712 HB3 :: 2.555 HD1 :: 6.266 HE1 :: 9.517 HE3 :: 7.148 HZ2 :: 7.234 HH2 :: 7.022 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.831 NE1 :: 128.071 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 G 0.25 R 0.16 C 0.12 D 0.09 F 0.02 K 0.01 Y 0.01 N 0.01 HN Overlap>> 1.S24 1.S24 C Shift Assignments>> C :: 174.365 CA :: 53.084 CB :: 43.912 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.097 HA :: 5.208 HB2 :: 3.356 HB3 :: 2.854 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.757 Ave N Shift Values>> N :: 120.73(4.2) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.922 CA :: 58.489 CB :: 65.366 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.985 HA :: 5.619 HB2 :: 3.429 HB3 :: 2.894 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.090 Ave N Shift Values>> N :: 116.3(3.95) 1.K85 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.5 R 0.31 K 0.16 C Shift Assignments>> C :: 173.500 CA :: 57.105 CB :: 36.707 CG :: 26.628 CD :: 29.025 CE :: 41.610 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.076 HA :: 4.370 HB2 :: 1.613 HB3 :: 1.139 HG2 :: 0.136(S) HG3 :: 0.721 HD2 :: 0.216(A) HD3 :: 0.216(A) HE2 :: 2.034(S) HE3 :: 0.989(A) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.248 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) (HE3 > HB3 : 0.9974) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.16 N 0.15 C 0.11 K 0.08 F 0.07 Y 0.06 R 0.01 C Shift Assignments>> CA :: 53.612 CB :: 40.912 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.346 HA :: 4.849 HB2 :: 2.816 HB3 :: 2.589 HD21 :: 6.430 HD22 :: 7.305 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.154 ND2 :: 112.807 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.45 C 0.36 K 0.09 G 0.05 L 0.02 C Shift Assignments>> C :: 176.139 CA :: 59.498 CB :: 29.521 CG :: 27.200 CD :: 43.026 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 3.928 HB2 :: 1.840 HB3 :: 1.774 HG2 :: 1.639 HG3 :: 1.552 HD2 :: 3.137 HD3 :: 3.137 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.218 CA :: 45.422 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.941 HA3 :: 3.941 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.V89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 177.340 CA :: 62.555 CB :: 29.570 CG1 :: 19.900 CG2 :: 21.616 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.733 HA :: 4.061 HB :: 1.985 HG11 :: 0.362 HG12 :: 0.362 HG13 :: 0.362 HG21 :: -0.164(S) HG22 :: -0.164(S) HG23 :: -0.164(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.236 Ave N Shift Values>> N :: 121.02(4.96) 1.T90 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 :: 175.893 CA :: 63.920 CB :: 69.897 CG2 :: 22.065 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.899 HA :: 4.178 HB :: 4.539 HG21 :: 1.358 HG22 :: 1.358 HG23 :: 1.358 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.416 Ave N Shift Values>> N :: 115.7(5.05) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.969 CA :: 45.727 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.736 HA2 :: 3.896 HA3 :: 3.288 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.778 Ave N Shift Values>> N :: 109.91(4.29) 1.T92 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 :: 176.071 CA :: 59.907 CB :: 70.171 CG2 :: 22.092 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.472 HA :: 4.569 HB :: 4.575 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.424 Ave N Shift Values>> N :: 115.7(5.05) 1.Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.21 K 0.16 Q 0.13 I 0.12 R 0.01 M 0.01 C Shift Assignments>> C :: 174.488 CA :: 59.607 CB :: 28.517 CG :: 35.045 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.022 HA :: 4.071 HB2 :: 2.073 HB3 :: 2.335 HG2 :: 2.549 HG3 :: 2.439 HE21 :: 6.890 HE22 :: 7.500 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.283 NE2 :: 113.077 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.31 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 176.576 CA :: 53.575 CB :: 35.942 CG :: 25.171 CD :: 29.597 CE :: 41.964 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.656 HA :: 5.026 HB2 :: 1.580 HB3 :: 1.465 HG2 :: 1.329 HG3 :: 1.233 HD2 :: 1.466 HD3 :: 1.466 HE2 :: 2.767 HE3 :: 2.767 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.021 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 169.530 CA :: 44.840 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.027 HA2 :: 3.418 HA3 :: 2.818 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.497 Ave N Shift Values>> N :: 109.91(4.29) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.23 K 0.14 H 0.11 R 0.1 W 0.07 Q 0.04 E 0.04 C Shift Assignments>> C :: 173.628 CA :: 53.384 CB :: 32.358 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.466 HA :: 5.259 HB2 :: 1.887 HB3 :: 1.672 HE21 :: 6.708 HE22 :: 7.302 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.957 NE2 :: 111.677 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.22 G 0.11 C Shift Assignments>> C :: 171.935 CA :: 59.661 CB :: 42.983 CG1 :: 28.425 CG2 :: 15.991 CD1 :: 15.909 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.939 HA :: 4.591 HB :: 1.855 HG12 :: 1.637 HG13 :: 1.100 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.248 Ave N Shift Values>> N :: 121.6(4.72) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.047 CA :: 62.010 CB :: 32.339 CG1 :: 21.561 CG2 :: 21.452 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.937 HA :: 4.373 HB :: 1.794 HG11 :: 0.829 HG12 :: 0.829 HG13 :: 0.829 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.177 Ave N Shift Values>> N :: 121.02(4.96) 1.W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.44 H 0.01 C Shift Assignments>> C :: 174.324 CA :: 57.287 CB :: 32.557 CD1 :: 127.153 CZ2 :: 114.311 CH2 :: 125.000 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.295 HA :: 4.326 HB2 :: 2.920 HB3 :: 2.367 HD1 :: 7.165 HE1 :: 10.224 HZ2 :: 6.723 HZ3 :: 5.840 HH2 :: 6.780 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 131.421 NE1 :: 130.216 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 K 0.18 G 0.05 C Shift Assignments>> C :: 175.061 CA :: 55.868 CB :: 31.110 CG :: 27.663 CD :: 43.176 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.520 HA :: 4.530 HB2 :: 1.746 HB3 :: 1.625 HG2 :: 1.617 HG3 :: 1.357 HD2 :: 3.220 HD3 :: 3.150 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.858 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 174.651 CA :: 61.163 CB :: 37.716 CG1 :: 27.009 CG2 :: 17.625 CD1 :: 13.103 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.371 HA :: 4.152 HB :: 1.281 HG12 :: 0.532 HG13 :: 1.020 HG21 :: 0.274 HG22 :: 0.274 HG23 :: 0.274 HD11 :: 0.101 HD12 :: 0.101 HD13 :: 0.101 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.113 Ave N Shift Values>> N :: 121.6(4.72) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.24 M 0.13 Q 0.13 K 0.12 C Shift Assignments>> CA :: 53.732 CB :: 30.006 CG :: 35.453 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.597 HA :: 4.713 HB2 :: 1.770 HB3 :: 2.101 HG2 :: 2.340 HG3 :: 2.206 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.271 Ave N Shift Values>> N :: 120.68(3.68) 1.P103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 175.989 CA :: 63.456 CB :: 32.022 CG :: 27.895 CD :: 50.463 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.346 HB2 :: 2.274 HB3 :: 1.835 HG2 :: 2.075 HG3 :: 1.863 HD2 :: 3.803 HD3 :: 3.733 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.614 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.767 HA2 :: 4.018 HA3 :: 3.900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.845 Ave N Shift Values>> N :: 109.91(4.29) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.012 CA :: 64.385 CB :: 31.956 CG :: 26.587 CD :: 49.455 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.986 HB2 :: 1.978 HB3 :: 1.316 HG2 :: 1.700 HG3 :: 1.404 HD2 :: 3.296 HD3 :: 3.296 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Y106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 Y 0.38 H 0.06 C Shift Assignments>> C :: 175.300 CA :: 57.151 CB :: 35.572 CD1 :: 131.672 CD2 :: 131.672 CE1 :: 117.425 CE2 :: 117.425 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.289 HA :: 3.774 HB2 :: 1.066(S) HB3 :: 0.901(S) HD1 :: 6.093 HD2 :: 6.093 HE1 :: 6.457 HE2 :: 6.457 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.315 Ave N Shift Values>> N :: 120.79(4.69) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.29 C 0.28 C Shift Assignments>> C :: 175.238 CA :: 55.076 CB :: 39.599 CD1 :: 131.917 CD2 :: 131.917 CE1 :: 131.073 CE2 :: 131.073 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.491 HA :: 4.858 HB2 :: 3.269 HB3 :: 2.675 HD1 :: 7.099 HD2 :: 7.099 HE1 :: 7.303 HE2 :: 7.303 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.443 Ave N Shift Values>> N :: 120.69(4.18) 1.M108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.4 A 0.11 C Shift Assignments>> C :: 177.053 CA :: 55.431 CB :: 33.048 CG :: 32.090 CE :: 16.450 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.905 HA :: 4.544 HB2 :: 2.060 HB3 :: 1.862 HG2 :: 2.502 HG3 :: 2.333 HE1 :: 1.941 HE2 :: 1.941 HE3 :: 1.941 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.430 Ave N Shift Values>> N :: 120.1(3.88) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 M 0.08 K 0.07 I 0.03 Q 0.03 C Shift Assignments>> CA :: 55.080 CB :: 29.938 CG :: 36.584 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.462 HA :: 4.545 HB2 :: 2.330 HB3 :: 1.744 HG2 :: 2.368 HG3 :: 2.281 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.418 Ave N Shift Values>> N :: 120.68(3.68) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.709 CA :: 65.749 CB :: 32.352 CG :: 27.963 CD :: 50.409 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.359 HB2 :: 2.399 HB3 :: 1.896 HG2 :: 2.121 HG3 :: 2.012 HD2 :: 3.809 HD3 :: 3.809 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.16 E 0.13 C Shift Assignments>> C :: 174.897 CA :: 55.159 CB :: 33.540 CG :: 37.129 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.297 HA :: 5.281 HB2 :: 1.814 HB3 :: 1.814 HG2 :: 2.075 HG3 :: 2.004 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.357 Ave N Shift Values>> N :: 120.68(3.68) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.09 G 0.09 V 0.03 C Shift Assignments>> C :: 173.819 CA :: 61.054 CB :: 42.602 CG1 :: 29.488 CG2 :: 20.621 CD1 :: 16.290 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.382 HA :: 4.553 HB :: 1.924 HG12 :: 1.632 HG13 :: 1.632 HG21 :: 1.323 HG22 :: 1.323 HG23 :: 1.323 HD11 :: 1.016 HD12 :: 1.016 HD13 :: 1.016 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.377 Ave N Shift Values>> N :: 121.6(4.72) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.34 R 0.27 G 0.01 M 0.01 C Shift Assignments>> C :: 175.279 CA :: 55.868 CB :: 33.938 CG :: 25.702 CD :: 29.297 CE :: 42.454 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.452 HA :: 4.926 HB2 :: 1.638 HB3 :: 1.433 HG2 :: 1.436 HG3 :: 1.246 HD2 :: 1.558 HD3 :: 1.558 HE2 :: 2.875 HE3 :: 2.875 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.420 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.22 G 0.11 A 0.04 C Shift Assignments>> C :: 174.392 CA :: 58.570 CB :: 42.848 CG2 :: 18.633 CD1 :: 14.955 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.936 HA :: 5.057 HB :: 1.622 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 HD11 :: 0.282 HD12 :: 0.282 HD13 :: 0.282 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.689 Ave N Shift Values>> N :: 121.6(4.72) 1.C115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.14 R 0.14 C 0.13 H 0.13 W 0.11 K 0.11 E 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 170.540 CA :: 56.141 CB :: 31.383 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.060 HA :: 4.483 HB2 :: 2.806 HB3 :: 2.806 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 111.331 Ave N Shift Values>> N :: 119.95(4.79) 1.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 C 0.26 Y 0.26 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 175.102 CA :: 55.813 CB :: 40.855 CD1 :: 131.102 CD2 :: 131.102 CE1 :: 130.710 CE2 :: 130.710 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.317 HA :: 5.813 HB2 :: 2.574 HB3 :: 2.509 HD1 :: 6.361 HD2 :: 6.361 HE1 :: 6.904 HE2 :: 6.904 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.098 Ave N Shift Values>> N :: 120.69(4.18) 1.K117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.3 C 0.26 K 0.23 L 0.14 G 0.04 C Shift Assignments>> C :: 172.768 CA :: 55.486 CD :: 29.004 CE :: 43.048 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.850 HA :: 4.900 HD2 :: 1.053 HD3 :: 0.632(S) HE2 :: 2.488 HE3 :: 2.234(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.890 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.39 C Shift Assignments>> C :: 173.969 CA :: 55.704 CB :: 40.637 CD1 :: 131.402 CD2 :: 131.402 CE1 :: 117.702 CE2 :: 117.702 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.048 HA :: 4.585 HB2 :: 2.797 HB3 :: 2.449 HD1 :: 6.191 HD2 :: 6.191 HE1 :: 6.651 HE2 :: 6.651 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.283 Ave N Shift Values>> N :: 120.79(4.69) 1.Y119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.56 C 0.42 C Shift Assignments>> C :: 173.928 CA :: 56.959 CB :: 41.613 CE1 :: 117.712 CE2 :: 117.712 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.525 HA :: 4.803 HB2 :: 1.971 HB3 :: 0.646(S) HE1 :: 6.496 HE2 :: 6.496 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.088 Ave N Shift Values>> N :: 120.79(4.69) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 M 0.17 V 0.17 C 0.15 P 0.09 Q 0.07 W 0.04 R 0.04 H 0.03 E 0.02 C Shift Assignments>> CB :: 32.830 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.638 HB2 :: 3.137 HB3 :: 2.940 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.682 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> I 0.5 C 0.49 C Shift Assignments>> CA :: 60.787 CB :: 37.170 CG1 :: 26.873 CG2 :: 16.549 CD1 :: 10.148 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> HA :: 3.749 HB :: 0.737(S) HG12 :: 0.731 HG13 :: 1.110 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 HD11 :: 0.589 HD12 :: 0.589 HD13 :: 0.589 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.074 CA :: 58.706 CB :: 63.947 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.387 HB2 :: 3.827 HB3 :: 3.827 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.614 CA :: 45.782 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.413 HA2 :: 4.216 HA3 :: 3.945 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.973 Ave N Shift Values>> N :: 109.91(4.29) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.23 C 0.03 L 0.01 C Shift Assignments>> C :: 177.163 CA :: 53.002 CB :: 19.728 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.809 HA :: 4.122 HB1 :: 1.229 HB2 :: 1.229 HB3 :: 1.229 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.989 Ave N Shift Values>> N :: 123.23(3.7) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.27 R 0.09 A 0.05 HN Overlap>> 1.T134 1.T134 1.N76 1.N76 C Shift Assignments>> C :: 177.749 CA :: 54.831 CB :: 41.855 CG :: 26.982 CD1 :: 26.383 CD2 :: 22.651 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.417 HA :: 3.850 HB2 :: 1.292 HB3 :: 1.628 HG :: 0.878 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 HD21 :: 0.140 HD22 :: 0.140 HD23 :: 0.140 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.725 Ave N Shift Values>> N :: 121.98(4.07) 1.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.18 K 0.17 Q 0.13 H 0.08 R 0.08 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 176.671 CA :: 54.721 CB :: 32.830 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.419 HA :: 4.292 HB2 :: 1.637 HB3 :: 1.507 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.270 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 L 0.32 M 0.15 C 0.12 K 0.02 C Shift Assignments>> C :: 173.778 CA :: 52.155 CB :: 22.212 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.964 HA :: 4.339 HB1 :: 0.967 HB2 :: 0.967 HB3 :: 0.967 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.417 Ave N Shift Values>> N :: 123.23(3.7) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 175.334 CA :: 61.271 CB :: 72.245 CG2 :: 21.139 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.097 HA :: 5.231 HB :: 3.609 HG21 :: 1.327 HG22 :: 1.327 HG23 :: 1.327 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.928 Ave N Shift Values>> N :: 115.7(5.05) 1.T130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.019 CB :: 70.280 CG2 :: 21.602 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.236 HA :: 5.314 HB :: 4.675 HG21 :: 1.231 HG22 :: 1.231 HG23 :: 1.231 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.992 Ave N Shift Values>> N :: 115.7(5.05) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 174.815 CA :: 62.637 CB :: 32.166 CD :: 50.763 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.449 HB2 :: 2.197 HB3 :: 1.480 HD2 :: 3.863 HD3 :: 4.096 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.C132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 R 0.15 C 0.13 W 0.11 K 0.1 Q 0.09 E 0.07 H 0.07 L 0.04 C Shift Assignments>> C :: 174.774 CA :: 59.198 CB :: 27.762 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.110 HA :: 4.251 HB2 :: 2.797 HB3 :: 2.731 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.469 Ave N Shift Values>> N :: 119.95(4.79) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.39 C Shift Assignments>> C :: 175.020 CA :: 60.290 CB :: 41.019 CG1 :: 29.978 CG2 :: 16.998 CD1 :: 16.481 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.328 HA :: 4.728 HB :: 1.536 HG12 :: 2.028 HG13 :: 1.176 HG21 :: 0.488 HG22 :: 0.488 HG23 :: 0.488 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 131.216 Ave N Shift Values>> N :: 121.6(4.72) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> 1.L126 1.L126 C Shift Assignments>> C :: 173.191 CA :: 63.210 CB :: 69.380 CG2 :: 21.602 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.418 HA :: 4.544 HB :: 4.101 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.742 Ave N Shift Values>> N :: 115.7(5.05) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.388 CA :: 60.999 CB :: 32.011 CG1 :: 22.406 CG2 :: 21.561 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.567 HA :: 5.001 HB :: 2.183 HG11 :: 0.786 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 0.608 HG22 :: 0.608 HG23 :: 0.608 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.195 Ave N Shift Values>> N :: 121.02(4.96) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.35 R 0.21 M 0.01 C Shift Assignments>> C :: 175.293 CA :: 54.803 CB :: 34.648 CG :: 25.566 CD :: 29.202 CE :: 41.964 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.312 HA :: 5.026 HB2 :: 1.834 HB3 :: 1.773 HG2 :: 1.352 HG3 :: 1.300 HD2 :: 1.542 HD3 :: 1.542 HE2 :: 2.759 HE3 :: 2.759 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.313 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.25 C 0.16 L 0.04 F 0.03 Y 0.02 C Shift Assignments>> CA :: 50.368 CB :: 39.867 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.235 HA :: 5.089 HB2 :: 3.027 HB3 :: 2.309 HD21 :: 6.601 HD22 :: 7.047 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.529 ND2 :: 112.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> CA :: 64.914 CB :: 32.307 CG :: 26.989 CD :: 50.409 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.149 HB2 :: 2.086 HB3 :: 1.867 HG2 :: 1.871 HG3 :: 1.914 HD2 :: 3.804 HD3 :: 3.592 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) ########################################################################### Overall Results: #Consistent: 128 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 19 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 1 C Shift Results: #Consistent: 507 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 787 #Duplicate: 0 #Unknown: 0 #Suspicious: 16 #Anomalous: 3 N Shift Results: #Consistent: 119 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A39 HA = 5.725(S), Expected = 4.26, Std = 0.4200, ChiSquare = 4.8647e-04 1.I53 HG21 = -0.185(S), Expected = 0.80, Std = 0.2900, ChiSquare = 6.8241e-04 1.I53 HG22 = -0.185(S), Expected = 0.80, Std = 0.2900, ChiSquare = 6.8241e-04 1.I53 HG23 = -0.185(S), Expected = 0.80, Std = 0.2900, ChiSquare = 6.8241e-04 1.D63 CB = 47.112(S), Expected = 40.70, Std = 1.6700, ChiSquare = 1.2327e-04 1.L70 HG = 0.398(S), Expected = 1.54, Std = 0.3300, ChiSquare = 5.3896e-04 1.K85 HG2 = 0.136(S), Expected = 1.38, Std = 0.2700, ChiSquare = 4.0772e-06 1.K85 HD2 = 0.216(A), Expected = 1.61, Std = 0.2500, ChiSquare = 2.4611e-08 1.K85 HD3 = 0.216(A), Expected = 1.61, Std = 0.2500, ChiSquare = 2.4611e-08 1.K85 HE2 = 2.034(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.4643e-06 1.K85 HE3 = 0.989(A), Expected = 2.93, Std = 0.2000, ChiSquare = 2.8708e-22 1.K85 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K85 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.V89 HG21 = -0.164(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.0897e-04 1.V89 HG22 = -0.164(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.0897e-04 1.V89 HG23 = -0.164(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.0897e-04 1.Y106 HB2 = 1.066(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.2353e-07 1.Y106 HB3 = 0.901(S), Expected = 2.91, Std = 0.3700, ChiSquare = 5.6439e-08 1.K117 HD3 = 0.632(S), Expected = 1.61, Std = 0.2500, ChiSquare = 9.1535e-05 1.K117 HE3 = 2.234(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.0141e-04 1.Y119 HB3 = 0.646(S), Expected = 2.91, Std = 0.3700, ChiSquare = 9.4212e-10 1.I122 HB = 0.737(S), Expected = 1.80, Std = 0.3100, ChiSquare = 6.0574e-04