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.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> C :: 173.4 CA :: 51.7 CB :: 19.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.96 HB1 :: 1.31 HB2 :: 1.31 HB3 :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 N 0.08 F 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 175.5 CA :: 54.2 CB :: 41.4 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 :: 8.52 HA :: 4.55 HB2 :: 2.48 HB3 :: 2.63 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 120.65(3.86) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.28 F 0.21 C Shift Assignments>> C :: 175.5 CA :: 57.2 CB :: 38.7 CD1 :: 133.1 CD2 :: 133.1 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.05 HA :: 4.55 HB2 :: 2.89 HB3 :: 3.02 HD1 :: 7.00 HD2 :: 7.00 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 120.52(4.2) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.16 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 174.5 CA :: 53.2 CB :: 38.7 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 :: 8.52 HA :: 4.72 HB2 :: 2.70 HB3 :: 2.78 HD21 :: 6.91 HD22 :: 7.63 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 :: 121.1 ND2 :: 113.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 A 0.01 C Shift Assignments>> CA :: 58.5 CB :: 39.3 CG1 :: 26.7 CG2 :: 17.2 CD1 :: 13.5 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 :: 7.97 HA :: 4.61 HB :: 1.96 HG12 :: 1.17 HG13 :: 1.44 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 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 :: 121.1 Ave N Shift Values>> N :: 121.46(4.28) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.36 C Shift Assignments>> CA :: 64.0 CB :: 32.7 CG :: 28.7 CD :: 51.5 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 :: 4.38 HB2 :: 1.63 HB3 :: 2.09 HG2 :: 2.09 HG3 :: 2.31 HD2 :: 3.96 HD3 :: 4.12 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.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.26 C 0.19 H 0.15 R 0.14 K 0.12 Q 0.05 E 0.04 P 0.02 C Shift Assignments>> C :: 173.1 CA :: 52.9 CB :: 32.0 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>> HA :: 5.38 HB2 :: 2.60 HB3 :: 3.44 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) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.26 C 0.15 G 0.06 C Shift Assignments>> C :: 172.6 CA :: 57.0 CB :: 43.0 CD1 :: 131.2 CD2 :: 131.2 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 :: 8.86 HA :: 5.61 HB2 :: 2.82 HB3 :: 3.28 HD1 :: 6.92 HD2 :: 6.92 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 :: 119.9 Ave N Shift Values>> N :: 120.45(4.18) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 C 0.32 Q 0.03 C Shift Assignments>> C :: 173.1 CA :: 53.1 CB :: 33.1 CG :: 32.5 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 :: 9.02 HA :: 4.65 HB2 :: 1.67 HB3 :: 1.67 HG2 :: 2.10 HG3 :: 2.24 HE21 :: 6.56 HE22 :: 7.15 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 :: 117.6 NE2 :: 110.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.12 D 0.09 F 0.02 Y 0.01 L 0.01 C Shift Assignments>> C :: 176.3 CA :: 49.7 CB :: 38.5 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 :: 7.97 HA :: 5.23 HB2 :: 2.30 HB3 :: 3.02 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 :: 118.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.18 F 0.18 Y 0.14 D 0.13 C 0.07 R 0.03 I 0.02 N 0.01 C Shift Assignments>> C :: 177.8 CA :: 56.9 CB :: 41.4 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 :: 8.94 HA :: 4.52 HB2 :: 2.56 HB3 :: 2.56 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 :: 122.5 Ave N Shift Values>> N :: 120.65(3.86) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.28 A 0.08 R 0.01 C Shift Assignments>> C :: 177.3 CA :: 54.3 CB :: 41.3 CG :: 27.4 CD1 :: 22.8 CD2 :: 24.9 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 :: 7.86 HA :: 4.19 HB2 :: 0.96 HB3 :: 1.14 HG :: 1.51 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 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 :: 116.5 Ave N Shift Values>> N :: 121.86(3.9) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.6 CA :: 46.9 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.42 HA2 :: 3.61 HA3 :: 3.61 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.5 Ave N Shift Values>> N :: 109.67(3.87) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 C 0.29 F 0.26 C Shift Assignments>> C :: 177.9 CA :: 57.7 CB :: 37.9 CD1 :: 132.7 CD2 :: 132.7 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.64 HA :: 4.46 HB2 :: 2.38 HB3 :: 3.01 HD1 :: 7.08 HD2 :: 7.08 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 120.52(4.2) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.4 R 0.18 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> C :: 176.8 CA :: 58.0 CB :: 32.7 CG :: 25.1 CD :: 28.4 CE :: 42.2 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 :: 8.99 HA :: 4.16 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.51 HG3 :: 1.60 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 3.00 HE3 :: 3.00 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.37 G 0.01 C Shift Assignments>> C :: 175.1 CA :: 59.2 CB :: 42.1 CG1 :: 27.6 CG2 :: 16.1 CD1 :: 13.6 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 :: 7.12 HA :: 5.15 HB :: 1.47 HG12 :: 0.94 HG13 :: 1.38 HG21 :: 0.64 HG22 :: 0.64 HG23 :: 0.64 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 121.46(4.28) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.8 CA :: 60.9 CB :: 40.5 CG1 :: 27.7 CG2 :: 16.6 CD1 :: 13.3 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 :: 8.49 HA :: 4.13 HB :: 1.18 HG12 :: 0.73 HG13 :: 1.06 HG21 :: 0.58 HG22 :: 0.58 HG23 :: 0.58 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 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 :: 127.1 Ave N Shift Values>> N :: 121.46(4.28) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.33 M 0.13 I 0.01 K 0.01 C Shift Assignments>> C :: 175.1 CA :: 54.3 CB :: 30.7 CG :: 37.5 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 :: 8.80 HA :: 5.44 HB2 :: 1.76 HB3 :: 2.18 HG2 :: 1.95 HG3 :: 2.27 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 :: 126.2 Ave N Shift Values>> N :: 120.67(3.48) 1.I20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 I 0.2 G 0.07 HN Overlap>> 1.M26 1.M26 C Shift Assignments>> C :: 174.9 CA :: 59.8 CB :: 42.6 CG1 :: 24.7 CG2 :: 18.6 CD1 :: 14.9 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 :: 8.61 HA :: 4.61 HB :: 1.60 HG12 :: 0.56 HG13 :: 1.32 HG21 :: -0.20(S) HG22 :: -0.20(S) HG23 :: -0.20(S) HD11 :: -0.33(S) HD12 :: -0.33(S) HD13 :: -0.33(S) 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 :: 114.6 Ave N Shift Values>> N :: 121.46(4.28) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.9 CA :: 45.0 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.82 HA2 :: 3.48 HA3 :: 4.58 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6 Ave N Shift Values>> N :: 109.67(3.87) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.03 I 0.03 A 0.01 C Shift Assignments>> C :: 172.7 CA :: 59.0 CB :: 36.7 CG1 :: 19.2 CG2 :: 23.1 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 :: 7.00 HA :: 4.88 HB :: 2.56 HG11 :: 1.03 HG12 :: 1.03 HG13 :: 1.03 HG21 :: 1.26 HG22 :: 1.26 HG23 :: 1.26 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 :: 110.3 Ave N Shift Values>> N :: 121.14(4.54) 1.K23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 R 0.34 K 0.27 G 0.02 C Shift Assignments>> C :: 175.2 CA :: 56.6 CB :: 34.9 CG :: 26.0 CD :: 29.4 CE :: 42.7 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 :: 8.21 HA :: 4.62 HB2 :: 1.62 HB3 :: 1.82 HG2 :: 0.71 HG3 :: 0.78 HD2 :: 1.31 HD3 :: 1.34 HE2 :: 2.25(S) HE3 :: 2.51 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 :: 113.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.33 E 0.26 Q 0.04 C Shift Assignments>> C :: 174.8 CA :: 54.9 CB :: 32.0 CG :: 36.0 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 :: 6.94 HA :: 5.26 HB2 :: 2.09 HB3 :: 2.09 HG2 :: 2.21 HG3 :: 2.21 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 120.67(3.48) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.34 C 0.18 C Shift Assignments>> C :: 171.1 CA :: 56.3 CB :: 40.2 CD1 :: 131.2 CD2 :: 131.2 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 :: 8.27 HA :: 4.91 HB2 :: 2.89 HB3 :: 3.15 HD1 :: 6.71 HD2 :: 6.71 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 :: 119.7 Ave N Shift Values>> N :: 120.45(4.18) 1.M26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.53 M 0.3 C 0.15 HN Overlap>> 1.I20 1.I20 C Shift Assignments>> CA :: 52.6 CB :: 35.3 CG :: 32.1 CE :: 17.8 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 :: 8.57 HA :: 5.52 HB2 :: 0.87(S) HB3 :: 1.19 HG2 :: 1.85 HG3 :: 1.96 HE1 :: 1.87 HE2 :: 1.87 HE3 :: 1.87 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.5 Ave N Shift Values>> N :: 120.09(3.57) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.23 K 0.16 R 0.13 M 0.12 H 0.1 E 0.09 V 0.08 Q 0.04 C Shift Assignments>> CA :: 58.6 CB :: 32.0 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 5.20 HB2 :: 2.89 HB3 :: 3.38 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) 1.V28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 V 0.27 I 0.09 A 0.06 C Shift Assignments>> CA :: 59.1 CG1 :: 19.6 CG2 :: 17.9 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.28 HA :: 4.23 HB :: 1.92 HG11 :: -0.12(S) HG12 :: -0.12(S) HG13 :: -0.12(S) HG21 :: 0.22 HG22 :: 0.22 HG23 :: 0.22 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 :: 120.2 Ave N Shift Values>> N :: 121.14(4.54) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.7 CA :: 45.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.50 HA2 :: 3.93 HA3 :: 3.93 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.0 Ave N Shift Values>> N :: 109.67(3.87) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.02 L 0.01 C Shift Assignments>> C :: 177.9 CA :: 52.5 CB :: 19.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.15 HA :: 4.37 HB1 :: 1.38 HB2 :: 1.38 HB3 :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8 Ave N Shift Values>> N :: 123.23(3.54) 1.T31 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 :: 62.1 CB :: 69.7 CG2 :: 21.7 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 :: 8.17 HA :: 4.27 HB :: 4.16 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 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 :: 113.6 Ave N Shift Values>> N :: 115.42(4.75) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 C 0.18 N 0.17 Y 0.15 E 0.13 F 0.08 M 0.02 D 0.01 C Shift Assignments>> CG :: 37.3 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>> HG2 :: 2.22 HG3 :: 2.94 HE21 :: 6.73 HE22 :: 7.41 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>> NE2 :: 110.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.86 P 0.1 A 0.03 C Shift Assignments>> C :: 175.3 CA :: 63.9 CB :: 32.4 CG :: 23.7 CD :: 49.8 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 :: 4.60 HB2 :: 1.90 HB3 :: 2.18 HG2 :: 0.50(S) HG3 :: 1.63 HD2 :: 3.19 HD3 :: 3.31 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.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.35 C 0.25 C Shift Assignments>> CA :: 57.8 CB :: 38.2 CD1 :: 131.5 CD2 :: 131.5 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 :: 8.90 HA :: 4.85 HB2 :: 2.79 HB3 :: 3.58 HD1 :: 7.28 HD2 :: 7.28 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 :: 127.5 Ave N Shift Values>> N :: 120.45(4.18) 1.D35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.1 CA :: 63.5 CB :: 31.5 CG :: 28.2 CD :: 50.8 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 :: 4.27 HB2 :: 1.60 HB3 :: 2.29 HG2 :: 1.86 HG3 :: 1.86 HD2 :: 2.72 HD3 :: 3.68 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.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.16 R 0.15 E 0.15 C 0.13 K 0.12 M 0.06 I 0.01 C Shift Assignments>> C :: 175.1 CA :: 56.1 CB :: 29.8 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.20 HA :: 4.85 HB2 :: 2.87 HB3 :: 3.22 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 :: 124.8 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.34 A 0.04 C Shift Assignments>> C :: 172.5 CA :: 57.8 CB :: 41.7 CG1 :: 28.4 CG2 :: 18.2 CD1 :: 13.3 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 :: 8.35 HA :: 4.81 HB :: 1.93 HG12 :: 1.25 HG13 :: 1.52 HG21 :: 1.26 HG22 :: 1.26 HG23 :: 1.26 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 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 :: 124.0 Ave N Shift Values>> N :: 121.46(4.28) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.38 C 0.2 C Shift Assignments>> C :: 173.9 CA :: 57.4 CB :: 39.5 CD1 :: 131.6 CD2 :: 131.6 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 :: 8.39 HA :: 4.79 HB2 :: 2.83 HB3 :: 2.83 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 6.69 HE2 :: 6.69 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 :: 127.8 Ave N Shift Values>> N :: 120.45(4.18) 1.I41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 170.4 CA :: 60.5 CB :: 38.2 CG1 :: 27.3 CG2 :: 18.5 CD1 :: 13.2 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 :: 8.59 HA :: 3.44 HB :: -0.19(S) HG12 :: 0.60 HG13 :: 1.23 HG21 :: 0.30 HG22 :: 0.30 HG23 :: 0.30 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 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 :: 132.1 Ave N Shift Values>> N :: 121.46(4.28) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 G 0.14 N 0.08 R 0.07 C 0.06 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 177.7 CA :: 50.5 CB :: 42.5 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 :: 7.56 HA :: 5.00 HB2 :: 2.32 HB3 :: 2.58 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 :: 121.8 Ave N Shift Values>> N :: 120.65(3.86) 1.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.2 A 0.02 C Shift Assignments>> C :: 177.8 CA :: 58.4 CB :: 32.8 CG :: 34.2 CE :: 18.7 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.27 HA :: 3.80 HB2 :: 1.76 HB3 :: 2.16 HG2 :: 2.34 HG3 :: 2.75 HE1 :: 2.02 HE2 :: 2.02 HE3 :: 2.02 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.1 Ave N Shift Values>> N :: 120.09(3.57) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 175.2 CA :: 47.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.80 HA2 :: 3.61 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 :: 109.1 Ave N Shift Values>> N :: 109.67(3.87) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 174.7 CA :: 58.7 CB :: 63.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.90 HA :: 4.44 HB2 :: 3.89 HB3 :: 4.02 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 116.28(3.52) 1.T46 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 :: 173.0 CA :: 60.9 CB :: 70.6 CG2 :: 21.7 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.91 HA :: 4.71 HB :: 4.47 HG21 :: 1.36 HG22 :: 1.36 HG23 :: 1.36 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1 Ave N Shift Values>> N :: 115.42(4.75) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.26 K 0.14 R 0.08 F 0.06 N 0.04 C 0.04 Y 0.04 C Shift Assignments>> C :: 175.0 CA :: 54.0 CB :: 42.1 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 :: 8.40 HA :: 4.98 HB2 :: 2.89 HB3 :: 3.10 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 :: 116.0 Ave N Shift Values>> N :: 120.65(3.86) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.4 E 0.13 Q 0.06 C Shift Assignments>> C :: 175.1 CA :: 55.2 CB :: 32.9 CG :: 35.2 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 :: 7.50 HA :: 5.59 HB2 :: 1.90 HB3 :: 2.21 HG2 :: 2.07 HG3 :: 2.22 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 :: 115.2 Ave N Shift Values>> N :: 120.67(3.48) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.43 K 0.02 G 0.01 C Shift Assignments>> C :: 173.9 CA :: 56.1 CB :: 38.5 CG :: 25.9 CD :: 29.6 CE :: 42.2 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 :: 9.18 HA :: 4.51 HB2 :: 1.63 HB3 :: 1.71 HG2 :: 1.40 HG3 :: 1.49 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.05 HE3 :: 3.05 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 176.2 CA :: 59.5 CB :: 40.6 CG1 :: 28.9 CG2 :: 17.3 CD1 :: 13.6 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 :: 8.13 HA :: 5.04 HB :: 1.57 HG12 :: 0.93 HG13 :: 1.43 HG21 :: 0.73 HG22 :: 0.73 HG23 :: 0.73 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 121.46(4.28) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.15 C 0.15 M 0.15 E 0.12 K 0.12 Q 0.09 V 0.01 C Shift Assignments>> CA :: 56.5 CB :: 31.3 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.80 HA :: 4.82 HB2 :: 3.02 HB3 :: 3.42 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 :: 128.4 Ave N Shift Values>> N :: 120.17(4.64) 1.P52 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 :: 177.0 CA :: 64.0 CB :: 32.2 CG :: 27.0 CD :: 51.0 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 :: 4.36 HB2 :: 1.65 HB3 :: 2.19 HG2 :: 1.60 HG3 :: 1.94 HD2 :: 3.96 HD3 :: 4.09 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.Y53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.37 F 0.34 C 0.28 C Shift Assignments>> C :: 177.0 CA :: 59.3 CB :: 37.8 CD1 :: 132.1 CD2 :: 132.1 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.99 HA :: 4.56 HB2 :: 1.42(S) HB3 :: 2.39 HD1 :: 6.78 HD2 :: 6.78 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 120.52(4.2) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 R 0.15 E 0.14 H 0.13 K 0.11 M 0.09 Q 0.07 V 0.06 I 0.01 C Shift Assignments>> C :: 175.8 CA :: 58.6 CB :: 31.2 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.41 HA :: 5.18 HB2 :: 3.24 HB3 :: 3.55 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 120.17(4.64) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.8 CA :: 58.5 CB :: 63.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.09 HA :: 4.38 HB2 :: 3.80 HB3 :: 3.80 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 :: 114.4 Ave N Shift Values>> N :: 116.28(3.52) 1.T56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 171.7 CA :: 65.3 CB :: 68.9 CG2 :: 20.1 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.83 HA :: 3.62 HB :: 3.80 HG21 :: 0.33(S) HG22 :: 0.33(S) HG23 :: 0.33(S) 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 :: 119.8 Ave N Shift Values>> N :: 115.42(4.75) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.26 R 0.1 G 0.02 C Shift Assignments>> C :: 172.9 CA :: 54.9 CB :: 42.5 CG :: 27.5 CD1 :: 24.4 CD2 :: 25.4 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 :: 7.64 HA :: 4.44 HB2 :: 1.30 HB3 :: 2.05 HG :: 1.23 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 0.74 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 :: 128.6 Ave N Shift Values>> N :: 121.86(3.9) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 174.9 CA :: 57.3 CB :: 40.8 CD1 :: 129.3 CD2 :: 129.3 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.57 HA :: 5.25 HB2 :: 2.16 HB3 :: 2.85 HD1 :: 6.45 HD2 :: 6.45 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.3 Ave N Shift Values>> N :: 120.52(4.2) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.32 R 0.17 K 0.03 C Shift Assignments>> C :: 174.4 CA :: 53.7 CB :: 34.7 CG :: 27.4 CD :: 43.8 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.54 HA :: 5.14 HB2 :: 1.45 HB3 :: 1.60 HG2 :: 1.56 HG3 :: 1.67 HD2 :: 3.11 HD3 :: 3.20 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 :: 122.3 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.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.26 F 0.16 C Shift Assignments>> C :: 174.4 CA :: 56.7 CB :: 39.7 CD1 :: 133.4 CD2 :: 133.4 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.85 HA :: 4.80 HB2 :: 2.71 HB3 :: 2.98 HD1 :: 6.89 HD2 :: 6.89 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.4 Ave N Shift Values>> N :: 120.52(4.2) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 D 0.21 L 0.15 C 0.07 N 0.06 R 0.05 K 0.02 F 0.01 C Shift Assignments>> CA :: 49.5 CB :: 42.6 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 :: 8.72 HA :: 4.75 HB2 :: 2.14 HB3 :: 2.62 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 :: 129.2 Ave N Shift Values>> N :: 120.65(3.86) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.3 CA :: 62.9 CB :: 31.7 CG :: 26.1 CD :: 50.5 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 :: 4.09 HB2 :: 1.99 HB3 :: 2.25 HG2 :: 1.79 HG3 :: 1.91 HD2 :: 2.94 HD3 :: 3.73 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.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9 CA :: 59.8 CB :: 63.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.48 HA :: 4.22 HB2 :: 3.74 HB3 :: 3.84 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 :: 115.7 Ave N Shift Values>> N :: 116.28(3.52) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.26 A 0.17 R 0.03 C Shift Assignments>> C :: 177.0 CA :: 54.1 CB :: 41.8 CG :: 26.3 CD1 :: 22.3 CD2 :: 25.9 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 :: 7.51 HA :: 4.27 HB2 :: 1.34 HB3 :: 1.59 HG :: 1.26 HD11 :: 0.47 HD12 :: 0.47 HD13 :: 0.47 HD21 :: 0.55 HD22 :: 0.55 HD23 :: 0.55 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.7 Ave N Shift Values>> N :: 121.86(3.9) 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 :: 175.5 CA :: 58.1 CB :: 63.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.34 HA :: 4.58 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 :: 115.6 Ave N Shift Values>> N :: 116.28(3.52) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> CA :: 60.6 CB :: 37.7 CD1 :: 133.5 CD2 :: 133.5 CE1 :: 118.2 CE2 :: 118.2 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.31 HA :: 4.20 HB2 :: 3.07 HB3 :: 3.07 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 6.87 HE2 :: 6.87 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 120.52(4.2) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.7 C 0.15 D 0.04 Y 0.02 F 0.02 M 0.02 E 0.01 C Shift Assignments>> C :: 174.1 CA :: 51.0 CB :: 37.4 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>> HA :: 4.66 HB2 :: 2.22 HB3 :: 2.94 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) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.3 Q 0.16 E 0.04 C Shift Assignments>> C :: 174.4 CA :: 54.8 CB :: 32.3 CG :: 33.9 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 :: 7.63 HA :: 4.68 HB2 :: 2.01 HB3 :: 2.03 HG2 :: 2.27 HG3 :: 2.41 HE21 :: 6.84 HE22 :: 7.51 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 :: 119.8 NE2 :: 111.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 T 0.15 C Shift Assignments>> C :: 173.7 CA :: 59.8 CB :: 72.7 CG2 :: 23.6 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 :: 8.26 HA :: 5.14 HB :: 4.07 HG21 :: 1.08 HG22 :: 1.08 HG23 :: 1.08 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 :: 110.0 Ave N Shift Values>> N :: 115.42(4.75) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.23 L 0.17 C 0.07 K 0.04 F 0.03 Y 0.02 R 0.01 G 0.01 C Shift Assignments>> CA :: 50.5 CB :: 41.5 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 :: 8.76 HA :: 4.78 HB2 :: 2.43 HB3 :: 2.97 HD21 :: 6.70 HD22 :: 7.82 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 :: 118.3 ND2 :: 113.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.93 P 0.05 C Shift Assignments>> C :: 176.1 CA :: 62.8 CB :: 35.0 CG :: 25.0 CD :: 50.8 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 :: 4.66 HB2 :: 1.51 HB3 :: 2.22 HG2 :: 0.32(S) HG3 :: 0.86 HD2 :: 2.87 HD3 :: 3.50 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.T72 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 :: 174.7 CA :: 62.9 CB :: 69.6 CG2 :: 21.2 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 :: 8.60 HA :: 4.32 HB :: 4.32 HG21 :: 1.36 HG22 :: 1.36 HG23 :: 1.36 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.8 Ave N Shift Values>> N :: 115.42(4.75) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.3 CA :: 46.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.49 HA2 :: 4.05 HA3 :: 4.33 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.5 Ave N Shift Values>> N :: 109.67(3.87) 1.C74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 C 0.23 R 0.1 K 0.08 E 0.07 Q 0.07 H 0.06 P 0.02 L 0.02 C Shift Assignments>> C :: 173.9 CA :: 60.1 CB :: 28.0 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.73 HA :: 4.92 HB2 :: 2.89 HB3 :: 3.85 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 :: 115.5 Ave N Shift Values>> N :: 120.17(4.64) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.3 R 0.15 G 0.04 C Shift Assignments>> C :: 176.5 CA :: 56.2 CB :: 43.1 CG :: 27.3 CD1 :: 24.4 CD2 :: 25.8 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 :: 8.06 HA :: 4.67 HB2 :: 1.56 HB3 :: 1.79 HG :: 1.57 HD11 :: 0.94 HD12 :: 0.94 HD13 :: 0.94 HD21 :: 0.96 HD22 :: 0.96 HD23 :: 0.96 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 :: 122.3 Ave N Shift Values>> N :: 121.86(3.9) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.23 C 0.23 C Shift Assignments>> C :: 173.4 CA :: 56.6 CB :: 39.6 CD1 :: 133.1 CD2 :: 133.1 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.89 HA :: 4.66 HB2 :: 2.49 HB3 :: 2.56 HD1 :: 6.82 HD2 :: 6.82 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.0 Ave N Shift Values>> N :: 120.52(4.2) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.18 C 0.08 L 0.03 F 0.02 Y 0.02 C Shift Assignments>> CA :: 50.2 CB :: 39.4 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 :: 8.25 HA :: 4.79 HB2 :: 2.35 HB3 :: 2.57 HD21 :: 6.68 HD22 :: 7.45 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 :: 126.4 ND2 :: 111.9 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.7 CA :: 63.0 CB :: 31.9 CG :: 26.7 CD :: 50.2 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 :: 4.07 HB2 :: 1.87 HB3 :: 1.95 HG2 :: 1.44 HG3 :: 1.69 HD2 :: 2.77 HD3 :: 3.35 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.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.37 R 0.17 C Shift Assignments>> C :: 176.6 CA :: 56.5 CB :: 32.3 CG :: 24.9 CD :: 28.7 CE :: 42.0 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 :: 7.92 HA :: 4.13 HB2 :: 1.66 HB3 :: 1.77 HG2 :: 1.29 HG3 :: 1.36 HD2 :: 1.61 HD3 :: 1.61 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 :: 119.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.04 A 0.04 G 0.01 C Shift Assignments>> C :: 176.9 CA :: 54.9 CB :: 42.1 CG :: 27.5 CD1 :: 23.0 CD2 :: 24.9 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 :: 7.65 HA :: 4.22 HB2 :: 1.48 HB3 :: 1.48 HG :: 1.51 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 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 :: 121.4 Ave N Shift Values>> N :: 121.86(3.9) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 M 0.11 Q 0.07 K 0.06 I 0.02 C Shift Assignments>> CA :: 56.4 CB :: 30.3 CG :: 36.1 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 :: 8.16 HA :: 4.16 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 2.16 HG3 :: 2.16 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 :: 121.3 Ave N Shift Values>> N :: 120.67(3.48) 1.H82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 78 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 78 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 87 #Suspicious: 0 C Shift Results: #Consistent: 320 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 498 #Duplicate: 0 #Unknown: 0 #Suspicious: 18 #Anomalous: 0 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I20 HG21 = -0.20(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2740e-04 1.I20 HG22 = -0.20(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2740e-04 1.I20 HG23 = -0.20(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2740e-04 1.I20 HD11 = -0.33(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.9628e-04 1.I20 HD12 = -0.33(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.9628e-04 1.I20 HD13 = -0.33(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.9628e-04 1.K23 HE2 = 2.25(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.2138e-04 1.M26 HB2 = 0.87(S), Expected = 2.03, Std = 0.3400, ChiSquare = 6.4544e-04 1.V28 HG11 = -0.12(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5834e-04 1.V28 HG12 = -0.12(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5834e-04 1.V28 HG13 = -0.12(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5834e-04 1.P33 HG2 = 0.50(S), Expected = 1.93, Std = 0.3100, ChiSquare = 3.9708e-06 1.I41 HB = -0.19(S), Expected = 1.78, Std = 0.2900, ChiSquare = 1.0975e-11 1.Y53 HB2 = 1.42(S), Expected = 2.91, Std = 0.3700, ChiSquare = 5.6487e-05 1.T56 HG21 = 0.33(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2873e-04 1.T56 HG22 = 0.33(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2873e-04 1.T56 HG23 = 0.33(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2873e-04 1.P71 HG2 = 0.32(S), Expected = 1.93, Std = 0.3100, ChiSquare = 2.0632e-07