Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.09 CA :: 63.16 CB :: 32.33 CG :: 27.07 CD :: 49.65 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 :: 4.47 HB2 :: 1.94 HB3 :: 2.31 HG2 :: 2.00 HG3 :: 2.00 HD2 :: 3.55 HD3 :: 3.55 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 177.97 CA :: 55.45 CB :: 42.28 CG :: 27.06 CD1 :: 24.91 CD2 :: 23.55 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 :: 8.51 HA :: 4.36 HB2 :: 1.61 HB3 :: 1.67 HG :: 1.66 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.89 HD22 :: 0.89 HD23 :: 0.89 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 :: 122.31 Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.34 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.41 HA2 :: 3.98 HA3 :: 3.98 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.87 Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.38 CB :: 63.92 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.20 HA :: 4.43 HB2 :: 3.86 HB3 :: 3.86 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 :: 115.59 Ave N Shift Values>> N :: 116.28(3.52) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.35 A 0.14 C Shift Assignments>> CA :: 55.60 CB :: 32.77 CG :: 32.07 CE :: 17.21 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 :: 8.41 HA :: 4.47 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 2.50 HG3 :: 2.58 HE1 :: 2.08 HE2 :: 2.08 HE3 :: 2.08 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 :: 121.60 Ave N Shift Values>> N :: 120.09(3.57) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.25 C 0.08 F 0.08 L 0.07 C Shift Assignments>> C :: 174.07 CA :: 53.27 CB :: 39.28 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 :: 8.36 HA :: 4.65 HB2 :: 2.64 HB3 :: 2.79 HD21 :: 7.56 HD22 :: 6.85 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 :: 119.57 ND2 :: 112.96 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.38 R 0.08 HN Overlap>> 1.L26 1.L26 1.L49 1.L49 C Shift Assignments>> C :: 176.67 CA :: 55.66 CB :: 33.81 CG :: 24.40 CD :: 28.77 CE :: 42.02 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 :: 7.97 HA :: 4.18 HB2 :: 1.58 HB3 :: 1.71 HG2 :: 1.26 HG3 :: 1.30 HD2 :: 1.59 HD3 :: 1.59 HE2 :: 2.93 HE3 :: 2.93 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 :: 119.64 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 178.62 CA :: 57.01 CB :: 40.31 CD1 :: 131.66 CD2 :: 131.66 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 :: 8.78 HA :: 5.06 HB2 :: 2.95 HB3 :: 3.54 HD1 :: 7.36 HD2 :: 7.36 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 :: 121.35 Ave N Shift Values>> N :: 120.45(4.18) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.68 CA :: 61.36 CB :: 70.66 CG2 :: 22.02 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 :: 9.21 HA :: 4.52 HB :: 4.81 HG21 :: 1.42 HG22 :: 1.42 HG23 :: 1.42 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 :: 114.98 Ave N Shift Values>> N :: 115.42(4.75) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 C 0.22 I 0.2 L 0.05 D 0.05 N 0.01 C Shift Assignments>> C :: 178.68 CA :: 58.43 CB :: 39.41 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 :: 9.16 HA :: 4.57 HB2 :: 2.76 HB3 :: 2.86 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 :: 122.26 Ave N Shift Values>> N :: 120.65(3.86) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 L 0.16 C 0.14 D 0.13 K 0.12 I 0.06 N 0.01 C Shift Assignments>> C :: 179.14 CA :: 57.56 CB :: 40.71 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 :: 8.49 HA :: 4.55 HB2 :: 2.63 HB3 :: 2.67 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 :: 118.86 Ave N Shift Values>> N :: 120.65(3.86) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.33 I 0.12 M 0.04 K 0.01 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> C :: 179.96 CA :: 59.16 CB :: 30.53 CG :: 37.16 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 :: 7.96 HA :: 4.03 HB2 :: 2.52 HB3 :: 2.05 HG2 :: 2.32 HG3 :: 2.45 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 :: 121.47 Ave N Shift Values>> N :: 120.67(3.48) 1.W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 176.68 CA :: 58.75 CB :: 30.20 CD1 :: 126.85 CE3 :: 121.62 CZ2 :: 114.43 CZ3 :: 121.70 CH2 :: 123.61 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 :: 8.93 HA :: 4.61 HB2 :: 3.27 HB3 :: 3.41 HD1 :: 7.34 HE1 :: 10.18 HE3 :: 7.07 HZ2 :: 7.39 HZ3 :: 6.88 HH2 :: 6.94 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 :: 121.60 NE1 :: 126.62 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 F 0.22 E 0.16 N 0.11 I 0.07 D 0.04 M 0.04 L 0.02 C Shift Assignments>> C :: 178.50 CA :: 56.55 CB :: 37.77 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 :: 8.65 HA :: 4.11 HB2 :: 2.99 HB3 :: 2.82 HD21 :: 7.76 HD22 :: 7.01 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 :: 116.89 ND2 :: 112.33 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 R 0.06 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 177.25 CA :: 58.71 CB :: 28.36 CG :: 33.90 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 :: 7.81 HA :: 3.93 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.40 HG3 :: 2.40 HE21 :: 7.63 HE22 :: 6.83 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 :: 119.76 NE2 :: 115.05 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.41 R 0.07 C Shift Assignments>> C :: 179.40 CA :: 58.38 CB :: 41.59 CG :: 27.79 CD1 :: 24.44 CD2 :: 25.75 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 :: 7.76 HA :: 4.04 HB2 :: 1.36 HB3 :: 1.71 HG :: 1.60 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 HD21 :: 0.78 HD22 :: 0.78 HD23 :: 0.78 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 :: 122.53 Ave N Shift Values>> N :: 121.86(3.9) 1.K18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.94 K 0.03 R 0.01 HN Overlap>> 1.H57 1.H57 C Shift Assignments>> C :: 178.38 CA :: 61.63 CB :: 32.11 CG :: 24.57 CD :: 32.05 CE :: 41.40 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 :: 8.04 HA :: 3.36 HB2 :: 1.94 HB3 :: 0.98 HG2 :: 0.26(S) HG3 :: 0.26(S) HD2 :: 1.93 HD3 :: 1.93 HE2 :: 2.50 HE3 :: 2.98 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 :: 116.12 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.21 R 0.1 E 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 178.72 CA :: 58.80 CB :: 27.85 CG :: 33.69 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 :: 7.70 HA :: 3.85 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.46 HG3 :: 2.46 HE21 :: 7.55 HE22 :: 6.86 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 :: 117.08 NE2 :: 112.32 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 C 0.17 L 0.13 D 0.13 I 0.09 K 0.04 N 0.02 C Shift Assignments>> C :: 179.31 CA :: 57.59 CB :: 40.20 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 :: 8.30 HA :: 4.34 HB2 :: 2.95 HB3 :: 2.57 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 :: 121.97 Ave N Shift Values>> N :: 120.65(3.86) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> C :: 177.90 CA :: 61.60 CB :: 38.69 CD1 :: 131.72 CD2 :: 131.72 CE1 :: 131.26 CE2 :: 131.26 CZ :: 130.53 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 :: 8.50 HA :: 3.99 HB2 :: 3.08 HB3 :: 2.79 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 6.60 HE2 :: 6.60 HZ :: 6.41 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 :: 122.51 Ave N Shift Values>> N :: 120.45(4.18) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> C :: 177.33 CA :: 65.91 CB :: 38.30 CG1 :: 30.82 CG2 :: 17.11 CD1 :: 13.00 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 :: 8.79 HA :: 3.11 HB :: 1.74 HG12 :: 0.69 HG13 :: 1.82 HG21 :: 0.76 HG22 :: 0.76 HG23 :: 0.76 HD11 :: 0.31 HD12 :: 0.31 HD13 :: 0.31 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 :: 121.04 Ave N Shift Values>> N :: 121.46(4.28) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.58 CA :: 61.87 CB :: 62.83 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.43 HA :: 4.02 HB2 :: 3.90 HB3 :: 3.90 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 :: 114.24 Ave N Shift Values>> N :: 116.28(3.52) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.59 CA :: 46.55 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.33 HA2 :: 3.67 HA3 :: 3.83 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.64 Ave N Shift Values>> N :: 109.67(3.87) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 178.20 CA :: 61.79 CB :: 36.82 CG1 :: 27.23 CG2 :: 17.87 CD1 :: 10.59 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 :: 7.30 HA :: 3.77 HB :: 1.48 HG12 :: 0.46 HG13 :: 0.46 HG21 :: 0.46 HG22 :: 0.46 HG23 :: 0.46 HD11 :: -0.17 HD12 :: -0.17 HD13 :: -0.17 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 :: 120.79 Ave N Shift Values>> N :: 121.46(4.28) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.42 A 0.02 R 0.02 HN Overlap>> 1.K8 1.L49 1.K8 1.L49 C Shift Assignments>> C :: 178.76 CA :: 56.55 CB :: 41.45 CG :: 26.68 CD1 :: 22.54 CD2 :: 25.61 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 :: 8.00 HA :: 4.08 HB2 :: 1.47 HB3 :: 1.70 HG :: 1.67 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 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 :: 119.60 Ave N Shift Values>> N :: 121.86(3.9) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 K 0.08 I 0.06 Q 0.05 M 0.04 C Shift Assignments>> C :: 177.19 CA :: 57.70 CB :: 29.76 CG :: 36.23 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 :: 7.75 HA :: 4.16 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.24 HG3 :: 2.31 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 :: 118.24 Ave N Shift Values>> N :: 120.67(3.48) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.26 F 0.12 C 0.1 L 0.09 C Shift Assignments>> C :: 175.75 CA :: 54.07 CB :: 39.34 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 :: 7.76 HA :: 4.63 HB2 :: 2.80 HB3 :: 2.80 HD21 :: 7.60 HD22 :: 6.92 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 :: 117.29 ND2 :: 113.46 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.07 K 0.06 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.17 CA :: 57.68 CB :: 29.94 CG :: 36.52 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 :: 8.33 HA :: 4.21 HB2 :: 2.02 HB3 :: 2.13 HG2 :: 2.25 HG3 :: 2.32 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 :: 120.51 Ave N Shift Values>> N :: 120.67(3.48) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.08 R 0.05 M 0.03 HN Overlap>> 1.I43 1.L47 1.I43 1.L47 C Shift Assignments>> C :: 176.74 CA :: 56.61 CB :: 28.79 CG :: 34.03 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 :: 8.30 HA :: 4.27 HB2 :: 2.07 HB3 :: 2.18 HG2 :: 2.41 HG3 :: 2.41 HE21 :: 7.56 HE22 :: 6.84 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 :: 119.92 NE2 :: 112.44 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.12 HN Overlap>> 1.M44 1.M44 C Shift Assignments>> C :: 176.98 CA :: 57.63 CB :: 32.73 CG :: 24.73 CD :: 29.10 CE :: 42.20 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 :: 8.13 HA :: 4.17 HB2 :: 1.83 HB3 :: 1.83 HG2 :: 1.43 HG3 :: 1.43 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.96 HE3 :: 2.96 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 :: 120.76 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 F 0.15 N 0.11 K 0.08 C 0.07 C Shift Assignments>> C :: 176.86 CA :: 55.06 CB :: 40.76 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 :: 8.25 HA :: 4.58 HB2 :: 2.65 HB3 :: 2.65 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 :: 119.47 Ave N Shift Values>> N :: 120.65(3.86) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.35 R 0.04 G 0.01 HN Overlap>> 1.E13 1.E13 C Shift Assignments>> C :: 178.27 CA :: 56.82 CB :: 42.17 CG :: 27.02 CD1 :: 25.08 CD2 :: 23.90 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 :: 7.97 HA :: 4.21 HB2 :: 1.72 HB3 :: 1.59 HG :: 1.64 HD11 :: 0.90 HD12 :: 0.90 HD13 :: 0.90 HD21 :: 0.83 HD22 :: 0.83 HD23 :: 0.83 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 :: 121.47 Ave N Shift Values>> N :: 121.86(3.9) 1.V34 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 :: 177.13 CA :: 64.23 CB :: 32.02 CG1 :: 21.75 CG2 :: 21.32 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 :: 7.94 HA :: 3.88 HB :: 2.14 HG11 :: 1.00 HG12 :: 1.00 HG13 :: 1.00 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 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 :: 118.26 Ave N Shift Values>> N :: 121.14(4.54) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.23 C 0.02 C Shift Assignments>> C :: 178.53 CA :: 53.66 CB :: 18.73 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.96 HA :: 4.21 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.25 Ave N Shift Values>> N :: 123.23(3.54) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.42 R 0.11 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 177.33 CA :: 57.23 CB :: 32.89 CG :: 24.82 CD :: 28.97 CE :: 42.01 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 :: 7.86 HA :: 4.20 HB2 :: 1.75 HB3 :: 1.75 HG2 :: 1.28 HG3 :: 1.36 HD2 :: 1.40 HD3 :: 1.40 HE2 :: 2.69 HE3 :: 2.69 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 :: 117.75 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 R 0.07 A 0.02 G 0.01 C Shift Assignments>> C :: 177.68 CA :: 55.45 CB :: 42.35 CG :: 26.93 CD1 :: 23.23 CD2 :: 25.46 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 :: 8.00 HA :: 4.41 HB2 :: 1.61 HB3 :: 1.78 HG :: 1.72 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 120.05 Ave N Shift Values>> N :: 121.86(3.9) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.51 CA :: 62.32 CB :: 69.87 CG2 :: 21.56 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 :: 8.01 HA :: 4.32 HB :: 4.29 HG21 :: 1.22 HG22 :: 1.22 HG23 :: 1.22 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 :: 113.00 Ave N Shift Values>> N :: 115.42(4.75) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.21 C 0.1 F 0.1 L 0.06 C Shift Assignments>> CA :: 53.75 CB :: 38.96 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 :: 8.34 HA :: 4.72 HB2 :: 2.86 HB3 :: 2.86 HD21 :: 7.61 HD22 :: 6.93 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 :: 120.23 ND2 :: 112.84 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 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 :: 173.94 CA :: 58.60 CB :: 63.90 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.16 HA :: 4.43 HB2 :: 3.88 HB3 :: 3.88 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 :: 114.84 Ave N Shift Values>> N :: 116.28(3.52) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.25 N 0.12 K 0.1 F 0.05 C 0.05 R 0.03 C Shift Assignments>> CA :: 52.94 CB :: 41.66 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 :: 8.11 HA :: 4.89 HB2 :: 2.60 HB3 :: 2.78 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 :: 123.39 Ave N Shift Values>> N :: 120.65(3.86) 1.P42 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 :: 177.75 CA :: 63.99 CB :: 32.21 CG :: 27.41 CD :: 50.83 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 :: 4.47 HB2 :: 1.98 HB3 :: 2.35 HG2 :: 2.04 HG3 :: 2.04 HD2 :: 3.81 HD3 :: 3.88 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.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.Q30 1.Q30 C Shift Assignments>> C :: 176.96 CA :: 62.04 CB :: 38.14 CG1 :: 28.13 CG2 :: 17.86 CD1 :: 12.98 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 :: 8.38 HA :: 4.12 HB :: 1.97 HG12 :: 1.28 HG13 :: 1.48 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 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 :: 119.91 Ave N Shift Values>> N :: 121.46(4.28) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.44 A 0.06 HN Overlap>> 1.K31 1.K31 C Shift Assignments>> C :: 176.50 CA :: 56.65 CB :: 32.76 CG :: 32.41 CE :: 17.19 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 :: 8.14 HA :: 4.43 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 2.58 HG3 :: 2.67 HE1 :: 2.10 HE2 :: 2.10 HE3 :: 2.10 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 :: 120.75 Ave N Shift Values>> N :: 120.09(3.57) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.21 C 0.1 F 0.1 L 0.06 C Shift Assignments>> C :: 176.05 CA :: 53.74 CB :: 38.96 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 :: 8.35 HA :: 4.75 HB2 :: 2.95 HB3 :: 2.95 HD21 :: 7.18 HD22 :: 6.94 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 :: 119.07 ND2 :: 112.79 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 E 0.09 R 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 177.44 CA :: 58.50 CB :: 29.05 CG :: 34.00 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 :: 8.42 HA :: 4.22 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.39 HG3 :: 2.39 HE21 :: 7.36 HE22 :: 6.89 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 :: 120.74 NE2 :: 110.91 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 R 0.01 HN Overlap>> 1.K73 1.K73 1.Q30 1.Q30 C Shift Assignments>> C :: 178.71 CA :: 58.17 CB :: 41.45 CG :: 27.30 CD1 :: 24.08 CD2 :: 24.86 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 :: 8.26 HA :: 4.17 HB2 :: 1.89 HB3 :: 1.73 HG :: 1.85 HD11 :: 0.94 HD12 :: 0.94 HD13 :: 0.94 HD21 :: 1.03 HD22 :: 1.03 HD23 :: 1.03 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 :: 119.96 Ave N Shift Values>> N :: 121.86(3.9) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 L 0.16 K 0.15 C 0.13 D 0.12 I 0.06 N 0.01 R 0.01 C Shift Assignments>> C :: 179.28 CA :: 57.66 CB :: 40.86 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 :: 8.14 HA :: 4.54 HB2 :: 2.76 HB3 :: 2.76 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 :: 118.92 Ave N Shift Values>> N :: 120.65(3.86) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.41 R 0.06 HN Overlap>> 1.L26 1.K8 1.L26 1.K8 C Shift Assignments>> C :: 180.30 CA :: 58.20 CB :: 41.97 CG :: 27.13 CD1 :: 25.77 CD2 :: 23.68 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 :: 7.90 HA :: 4.21 HB2 :: 2.05 HB3 :: 1.75 HG :: 1.89 HD11 :: 1.01 HD12 :: 1.01 HD13 :: 1.01 HD21 :: 1.02 HD22 :: 1.02 HD23 :: 1.02 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 :: 119.57 Ave N Shift Values>> N :: 121.86(3.9) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.41 R 0.09 G 0.01 C Shift Assignments>> C :: 179.16 CA :: 58.71 CB :: 42.11 CG :: 27.71 CD1 :: 25.42 CD2 :: 25.26 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 :: 8.28 HA :: 4.23 HB2 :: 1.40 HB3 :: 2.00 HG :: 1.71 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 HD21 :: 0.60 HD22 :: 0.60 HD23 :: 0.60 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 :: 122.35 Ave N Shift Values>> N :: 121.86(3.9) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 W 0.22 H 0.12 C Shift Assignments>> C :: 177.86 CA :: 62.68 CB :: 31.50 CD2 :: 117.56 CE1 :: 138.13 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 :: 8.55 HA :: 4.13 HB2 :: 3.13 HB3 :: 3.28 HD2 :: 7.10 HE1 :: 7.67 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 :: 118.41 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.37 R 0.16 G 0.01 C Shift Assignments>> C :: 179.53 CA :: 59.88 CB :: 32.73 CG :: 25.82 CD :: 29.39 CE :: 42.26 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 :: 8.14 HA :: 4.26 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 1.59 HG3 :: 1.75 HD2 :: 1.82 HD3 :: 1.82 HE2 :: 3.06 HE3 :: 3.06 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 :: 118.23 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 W 0.37 C Shift Assignments>> C :: 179.00 CA :: 62.96 CB :: 29.45 CD1 :: 127.50 CE3 :: 120.31 CZ2 :: 113.94 CZ3 :: 124.37 CH2 :: 123.92 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 :: 8.42 HA :: 4.18 HB2 :: 3.60 HB3 :: 3.78 HD1 :: 7.53 HE1 :: 10.62 HE3 :: 7.31 HZ2 :: 7.08 HZ3 :: 7.17 HH2 :: 7.21 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 :: 121.33 NE1 :: 130.37 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.35 R 0.09 G 0.01 C Shift Assignments>> C :: 179.82 CA :: 59.10 CB :: 42.33 CG :: 27.86 CD1 :: 23.78 CD2 :: 25.20 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 :: 9.29 HA :: 3.79 HB2 :: 1.28 HB3 :: 2.17 HG :: 1.91 HD11 :: 0.37 HD12 :: 0.37 HD13 :: 0.37 HD21 :: 0.63 HD22 :: 0.63 HD23 :: 0.63 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 :: 122.23 Ave N Shift Values>> N :: 121.86(3.9) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 C 0.22 I 0.2 L 0.05 D 0.05 N 0.01 C Shift Assignments>> C :: 179.78 CA :: 58.45 CB :: 39.42 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 :: 9.15 HA :: 4.75 HB2 :: 2.96 HB3 :: 2.78 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 :: 119.72 Ave N Shift Values>> N :: 120.65(3.86) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.42 G 0.12 K 0.01 HN Overlap>> 1.M60 1.M60 C Shift Assignments>> C :: 176.89 CA :: 58.21 CB :: 29.70 CG :: 27.51 CD :: 43.80 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 :: 7.62 HA :: 4.17 HB2 :: 1.63 HB3 :: 1.76 HG2 :: 1.59 HG3 :: 1.59 HD2 :: 3.11 HD3 :: 3.11 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 :: 119.30 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.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.33 W 0.33 C 0.33 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> C :: 174.56 CA :: 57.49 CB :: 29.23 CD2 :: 122.61 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 :: 8.09 HA :: 4.55 HB2 :: 2.59 HB3 :: 3.35 HD2 :: 6.65 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 :: 116.22 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 R 0.31 G 0.13 K 0.03 C Shift Assignments>> C :: 177.15 CA :: 60.53 CB :: 30.64 CG :: 26.14 CD :: 43.59 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 :: 7.19 HA :: 3.11 HB2 :: 1.44 HB3 :: 0.95 HG2 :: -0.17(S) HG3 :: 0.93 HD2 :: 1.48(S) HD3 :: 2.39 HE :: 7.03 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 :: 123.54 NE :: 85.25 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.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 D 0.17 C 0.17 L 0.14 I 0.07 N 0.05 K 0.01 C Shift Assignments>> C :: 178.43 CA :: 56.95 CB :: 39.88 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 :: 8.30 HA :: 4.15 HB2 :: 2.52 HB3 :: 2.52 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 :: 116.63 Ave N Shift Values>> N :: 120.65(3.86) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.47 A 0.01 HN Overlap>> 1.R56 1.R56 C Shift Assignments>> C :: 177.77 CA :: 58.22 CB :: 32.45 CG :: 31.96 CE :: 17.02 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 :: 7.69 HA :: 3.94 HB2 :: 1.98 HB3 :: 2.10 HG2 :: 2.43 HG3 :: 2.58 HE1 :: 2.06 HE2 :: 2.06 HE3 :: 2.06 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 :: 119.28 Ave N Shift Values>> N :: 120.09(3.57) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 P 0.36 C 0.13 W 0.03 R 0.01 C Shift Assignments>> C :: 175.79 CA :: 62.63 CB :: 27.66 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.77 HA :: 4.24 HB2 :: 2.90 HB3 :: 3.34 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 :: 116.17 Ave N Shift Values>> N :: 120.17(4.64) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.33 I 0.19 K 0.03 M 0.01 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 177.25 CA :: 58.14 CB :: 29.32 CG :: 37.42 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 :: 7.81 HA :: 3.85 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.88 HG3 :: 2.28 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 :: 117.83 Ave N Shift Values>> N :: 120.67(3.48) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.15 C Shift Assignments>> C :: 176.97 CA :: 57.35 CB :: 32.27 CG :: 24.95 CD :: 28.98 CE :: 42.13 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 :: 7.25 HA :: 4.01 HB2 :: 1.40 HB3 :: 1.47 HG2 :: 1.22 HG3 :: 1.14 HD2 :: 1.46 HD3 :: 1.46 HE2 :: 2.83 HE3 :: 2.83 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 :: 117.23 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> CA :: 56.82 CB :: 30.57 CD1 :: 125.87 CE3 :: 121.45 CZ2 :: 114.54 CZ3 :: 122.21 CH2 :: 124.34 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 :: 7.57 HA :: 4.86 HB2 :: 3.34 HB3 :: 3.34 HD1 :: 7.33 HE1 :: 10.24 HE3 :: 7.74 HZ2 :: 7.52 HZ3 :: 7.13 HH2 :: 7.16 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 :: 119.42 NE1 :: 128.83 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.46 R 0.06 C Shift Assignments>> C :: 176.65 CA :: 58.50 CB :: 33.49 CG :: 24.94 CD :: 29.09 CE :: 41.92 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 :: 7.19 HA :: 4.32 HB2 :: 1.89 HB3 :: 1.96 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.57 HD3 :: 1.57 HE2 :: 2.93 HE3 :: 2.93 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 :: 116.09 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.79 CB :: 64.61 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.40 HA :: 4.67 HB2 :: 4.21 HB3 :: 4.06 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 :: 114.66 Ave N Shift Values>> N :: 116.28(3.52) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 177.33 CA :: 59.51 CB :: 32.88 CG :: 25.22 CD :: 29.29 CE :: 41.87 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 :: 8.94 HA :: 4.14 HB2 :: 1.99 HB3 :: 1.93 HG2 :: 1.53 HG3 :: 1.43 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 2.96 HE3 :: 2.96 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 :: 124.09 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 I 0.12 K 0.04 M 0.03 Q 0.02 C Shift Assignments>> CA :: 58.77 CB :: 29.87 CG :: 36.58 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 :: 8.72 HA :: 4.13 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 2.24 HG3 :: 2.37 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 :: 117.47 Ave N Shift Values>> N :: 120.67(3.48) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 F 0.2 K 0.17 C 0.08 N 0.03 I 0.01 R 0.01 C Shift Assignments>> C :: 177.85 CA :: 56.27 CB :: 41.09 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 :: 7.08 HA :: 4.56 HB2 :: 2.66 HB3 :: 2.84 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 :: 121.79 Ave N Shift Values>> N :: 120.65(3.86) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 177.64 CA :: 65.68 CB :: 38.15 CG1 :: 30.29 CG2 :: 18.95 CD1 :: 14.73 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 :: 8.25 HA :: 3.65 HB :: 2.07 HG12 :: 1.47 HG13 :: 2.01 HG21 :: 1.20 HG22 :: 1.20 HG23 :: 1.20 HD11 :: 1.10 HD12 :: 1.10 HD13 :: 1.10 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 :: 121.81 Ave N Shift Values>> N :: 121.46(4.28) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.47 R 0.01 HN Overlap>> 1.N75 1.N75 C Shift Assignments>> C :: 179.67 CA :: 58.67 CB :: 40.92 CG :: 27.56 CD1 :: 25.36 CD2 :: 23.60 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 :: 8.53 HA :: 4.12 HB2 :: 1.89 HB3 :: 1.61 HG :: 1.82 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 HD21 :: 0.98 HD22 :: 0.98 HD23 :: 0.98 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 :: 119.02 Ave N Shift Values>> N :: 121.86(3.9) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 W 0.36 H 0.25 C Shift Assignments>> C :: 178.32 CA :: 59.80 CB :: 29.82 CD2 :: 119.23 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 :: 8.02 HA :: 4.42 HB2 :: 3.28 HB3 :: 3.28 HD2 :: 7.00 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 :: 118.97 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.28 R 0.25 HN Overlap>> 1.E76 1.E76 1.L47 1.L47 C Shift Assignments>> C :: 180.34 CA :: 58.18 CB :: 30.85 CG :: 24.23 CD :: 27.54 CE :: 41.74 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 :: 8.17 HA :: 3.94 HB2 :: 1.53 HB3 :: 1.26 HG2 :: 0.62 HG3 :: 1.16 HD2 :: 1.16 HD3 :: 1.16 HE2 :: 2.42 HE3 :: 2.42 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 :: 119.99 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.4 R 0.08 G 0.05 HN Overlap>> 1.I22 1.I22 C Shift Assignments>> C :: 179.28 CA :: 58.24 CB :: 42.91 CG :: 26.65 CD1 :: 22.70 CD2 :: 25.51 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 :: 8.87 HA :: 4.14 HB2 :: 2.04 HB3 :: 1.24 HG :: 1.93 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.66 HD22 :: 0.66 HD23 :: 0.66 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 :: 121.04 Ave N Shift Values>> N :: 121.86(3.9) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 C 0.25 I 0.13 D 0.08 L 0.05 N 0.05 E 0.03 M 0.01 HN Overlap>> 1.L71 1.L71 C Shift Assignments>> C :: 177.77 CA :: 57.43 CB :: 38.80 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 :: 8.48 HA :: 4.59 HB2 :: 3.01 HB3 :: 2.76 HD21 :: 7.41 HD22 :: 6.65 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 :: 119.04 ND2 :: 111.26 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.35 I 0.15 K 0.03 M 0.02 Q 0.01 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> C :: 179.13 CA :: 59.45 CB :: 29.98 CG :: 36.61 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 :: 8.12 HA :: 4.09 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.10 HG3 :: 2.32 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 :: 119.90 Ave N Shift Values>> N :: 120.67(3.48) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.26 R 0.06 E 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 178.05 CA :: 57.86 CB :: 28.49 CG :: 33.85 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 :: 8.01 HA :: 4.12 HB2 :: 2.40 HB3 :: 2.48 HG2 :: 2.55 HG3 :: 2.55 HE21 :: 7.90 HE22 :: 7.05 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 :: 117.39 NE2 :: 113.57 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.63 CA :: 59.70 CB :: 29.76 CD1 :: 127.01 CE3 :: 122.18 CZ2 :: 114.03 CZ3 :: 120.32 CH2 :: 123.71 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 :: 8.77 HA :: 4.03 HB2 :: 3.22 HB3 :: 3.35 HD1 :: 6.92 HE1 :: 9.94 HE3 :: 6.34 HZ2 :: 7.14 HZ3 :: 7.30 HH2 :: 6.75 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 :: 121.88 NE1 :: 128.82 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.26 F 0.12 C 0.1 L 0.09 C Shift Assignments>> C :: 175.11 CA :: 54.08 CB :: 39.36 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 :: 7.63 HA :: 4.42 HB2 :: 2.66 HB3 :: 2.86 HD21 :: 7.48 HD22 :: 6.98 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 :: 114.58 ND2 :: 113.44 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 R 0.08 C Shift Assignments>> C :: 175.53 CA :: 56.92 CB :: 33.36 CG :: 24.55 CD :: 29.38 CE :: 42.25 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 :: 7.47 HA :: 4.29 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 1.55 HG3 :: 1.55 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.04 HE3 :: 3.04 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 :: 120.20 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.22 R 0.17 D 0.14 F 0.11 C 0.05 N 0.01 C Shift Assignments>> CA :: 56.15 CB :: 42.33 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 :: 7.79 HA :: 4.39 HB2 :: 2.58 HB3 :: 2.66 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 :: 126.91 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 80 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 364 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 600 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K18 HG2 = 0.26(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.9615e-05 1.K18 HG3 = 0.26(S), Expected = 1.35, Std = 0.2800, ChiSquare = 9.9070e-05 1.R58 HG2 = -0.17(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.1602e-10 1.R58 HD2 = 1.48(S), Expected = 3.12, Std = 0.2400, ChiSquare = 8.2964e-12