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.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.8 A 0.18 C Shift Assignments>> C :: 174.89 CA :: 55.85 CB :: 34.52 CG :: 32.13 CE :: 17.09 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>> HA :: 4.5 HB2 :: 2.0 HB3 :: 2.0 HG2 :: 2.5 HG3 :: 2.5 HE1 :: 1.91 HE2 :: 1.91 HE3 :: 1.91 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) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.01 CA :: 56.64 CB :: 66.19 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.81 HA :: 4.84 HB2 :: 3.81 HB3 :: 4.01 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.56 Ave N Shift Values>> N :: 116.28(3.52) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.86 CA :: 67.09 CB :: 30.84 CG1 :: 21.45 CG2 :: 23.16 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 :: 8.83 HA :: 3.46 HB :: 1.85 HG11 :: 0.71 HG12 :: 0.71 HG13 :: 0.71 HG21 :: 0.52 HG22 :: 0.52 HG23 :: 0.52 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.80 Ave N Shift Values>> N :: 121.14(4.54) 1.A6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.63 M 0.35 C Shift Assignments>> C :: 179.72 CA :: 53.48 CB :: 17.84 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.77 HA :: 2.35(S) HB1 :: 1.00 HB2 :: 1.00 HB3 :: 1.00 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.05 Ave N Shift Values>> N :: 123.23(3.54) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 D 0.17 L 0.17 K 0.07 I 0.03 N 0.03 C Shift Assignments>> C :: 176.51 CA :: 56.78 CB :: 40.53 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 :: 7.47 HA :: 4.20 HB2 :: 2.60 HB3 :: 2.30 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 :: 117.91 Ave N Shift Values>> N :: 120.65(3.86) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.34 I 0.13 D 0.06 L 0.06 N 0.01 HN Overlap>> 2.S32 2.S32 C Shift Assignments>> C :: 176.82 CA :: 58.00 CB :: 39.52 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 :: 8.32 HA :: 4.41 HB2 :: 2.97 HB3 :: 3.22 HD1 :: 7.25 HD2 :: 7.25 HE1 :: 7.08 HE2 :: 7.08 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 :: 115.26 Ave N Shift Values>> N :: 120.45(4.18) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.21 E 0.21 K 0.18 Y 0.03 R 0.02 V 0.02 W 0.01 F 0.01 I 0.01 C Shift Assignments>> C :: 177.50 CA :: 56.73 CB :: 34.91 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 :: 7.52 HA :: 4.48 HB2 :: 3.20 HB3 :: 3.20 HD1 :: 7.00 HD2 :: 7.00 HE1 :: 6.75 HE2 :: 6.75 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 :: 122.76 Ave N Shift Values>> N :: 120.52(4.2) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.76 CA :: 45.02 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.41 HA2 :: 3.50 HA3 :: 4.52 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.02 Ave N Shift Values>> N :: 109.67(3.87) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D56 1.D56 C Shift Assignments>> C :: 172.28 CA :: 60.38 CB :: 63.84 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.24 HA :: 4.48 HB2 :: 4.09 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 :: 116.78 Ave N Shift Values>> N :: 116.28(3.52) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.31 L 0.1 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.61 CA :: 52.47 CB :: 39.90 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 :: 9.23 HA :: 5.08 HB2 :: 2.68 HB3 :: 2.68 HD21 :: 7.29 HD22 :: 6.59 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 :: 125.04 ND2 :: 110.59 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 A 0.12 I 0.02 C Shift Assignments>> C :: 173.26 CA :: 58.63 CB :: 36.56 CG1 :: 22.47 CG2 :: 20.26 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.24 HA :: 5.35 HB :: 1.85 HG11 :: 0.80 HG12 :: 0.80 HG13 :: 0.80 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 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 :: 118.07 Ave N Shift Values>> N :: 121.14(4.54) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.34 C Shift Assignments>> C :: 175.23 CA :: 54.92 CB :: 33.73 CG :: 38.12 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 :: 8.77 HA :: 5.13 HB2 :: 2.03 HB3 :: 1.85 HG2 :: 2.00 HG3 :: 1.91 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 :: 120.54 Ave N Shift Values>> N :: 120.67(3.48) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.11 CA :: 60.47 CB :: 33.98 CG1 :: 23.12 CG2 :: 21.40 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.44 HA :: 4.50 HB :: 1.92 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.64 Ave N Shift Values>> N :: 121.14(4.54) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.24 R 0.19 A 0.02 C Shift Assignments>> C :: 175.88 CA :: 53.66 CB :: 43.84 CG :: 27.67 CD1 :: 24.06 CD2 :: 26.20 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 :: 8.58 HA :: 4.89 HB2 :: 1.32 HB3 :: 1.69 HG :: 1.56 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.86 HD22 :: 0.86 HD23 :: 0.86 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 :: 127.95 Ave N Shift Values>> N :: 121.86(3.9) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.12 G 0.01 A 0.01 C Shift Assignments>> C :: 178.89 CA :: 54.35 CB :: 42.07 CG :: 28.54 CD1 :: 24.88 CD2 :: 24.50 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 :: 8.99 HA :: 5.14 HB2 :: 1.95 HB3 :: 1.73 HG :: 1.56 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 HD21 :: 0.73 HD22 :: 0.73 HD23 :: 0.73 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 :: 127.35 Ave N Shift Values>> N :: 121.86(3.9) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.21 F 0.19 E 0.13 D 0.07 M 0.04 I 0.04 L 0.02 C Shift Assignments>> C :: 175.62 CA :: 55.80 CB :: 37.82 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 :: 8.60 HA :: 4.35 HB2 :: 2.86 HB3 :: 2.79 HD21 :: 7.71 HD22 :: 6.59 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 :: 118.72 ND2 :: 111.64 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 M 0.08 E 0.07 Y 0.05 F 0.04 D 0.03 K 0.01 C Shift Assignments>> C :: 175.38 CA :: 52.35 CB :: 36.84 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 :: 7.79 HA :: 4.63 HB2 :: 2.78 HB3 :: 3.29 HD21 :: 7.65 HD22 :: 6.80 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 :: 116.36 ND2 :: 113.00 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.3 D 0.09 I 0.08 N 0.07 L 0.05 E 0.02 M 0.01 C Shift Assignments>> C :: 175.05 CA :: 56.95 CB :: 38.84 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 :: 8.38 HA :: 4.44 HB2 :: 2.96 HB3 :: 2.79 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 :: 113.77 Ave N Shift Values>> N :: 120.65(3.86) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.09 CA :: 58.47 CB :: 64.91 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.67 HA :: 4.56 HB2 :: 3.86 HB3 :: 3.98 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 :: 114.18 Ave N Shift Values>> N :: 116.28(3.52) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.28 G 0.03 C Shift Assignments>> C :: 176.25 CA :: 54.70 CB :: 36.86 CG :: 25.60 CD :: 29.92 CE :: 42.24 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 :: 8.31 HA :: 5.58 HB2 :: 1.63 HB3 :: 1.63 HG2 :: 1.32 HG3 :: 1.32 HD2 :: 1.55 HD3 :: 1.55 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 :: 118.29 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 L 0.18 C Shift Assignments>> C :: 174.70 CA :: 50.80 CB :: 21.88 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81 HA :: 4.73 HB1 :: 1.11 HB2 :: 1.11 HB3 :: 1.11 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.50 Ave N Shift Values>> N :: 123.23(3.54) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 G 0.42 K 0.07 C Shift Assignments>> C :: 174.92 CA :: 53.94 CB :: 33.75 CG :: 27.44 CD :: 43.82 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 :: 8.48 HA :: 5.66 HB2 :: 1.73 HB3 :: 1.82 HG2 :: 1.61 HG3 :: 1.55 HD2 :: 3.20 HD3 :: 3.12 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 :: 121.42 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.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 170.38 CA :: 45.83 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.71 HA2 :: 4.02 HA3 :: 4.26 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.30 Ave N Shift Values>> N :: 109.67(3.87) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.59 CA :: 60.40 CB :: 34.45 CG1 :: 21.09 CG2 :: 21.88 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 :: 8.39 HA :: 4.90 HB :: 1.81 HG11 :: 0.77 HG12 :: 0.77 HG13 :: 0.77 HG21 :: 0.95 HG22 :: 0.95 HG23 :: 0.95 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 :: 119.41 Ave N Shift Values>> N :: 121.14(4.54) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.93 CA :: 63.69 CB :: 38.19 CG1 :: 28.13 CG2 :: 17.87 CD1 :: 14.37 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 :: 8.69 HA :: 4.19 HB :: 2.15 HG12 :: 1.96 HG13 :: 0.82 HG21 :: 0.95 HG22 :: 0.95 HG23 :: 0.95 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 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 :: 125.41 Ave N Shift Values>> N :: 121.46(4.28) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.09 CA :: 61.42 CB :: 69.62 CG2 :: 22.77 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 :: 8.81 HA :: 4.39 HB :: 4.01 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 :: 120.09 Ave N Shift Values>> N :: 115.42(4.75) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.26 K 0.15 R 0.1 F 0.06 Y 0.04 N 0.04 C Shift Assignments>> C :: 172.03 CA :: 54.15 CB :: 42.19 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 :: 7.29 HA :: 4.12 HB2 :: 2.36 HB3 :: 2.72 HD21 :: 7.58 HD22 :: 6.8 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 :: 116.08 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.23 R 0.16 D 0.12 F 0.12 Y 0.08 HN Overlap>> 1.K82 2.D33 1.K82 2.D33 C Shift Assignments>> C :: 172.43 CA :: 56.52 CB :: 42.29 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 :: 8.21 HA :: 5.38 HB2 :: 2.98 HB3 :: 3.13 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 6.74 HE2 :: 6.74 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 :: 122.15 Ave N Shift Values>> N :: 120.45(4.18) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 L 0.22 N 0.2 K 0.06 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 175.94 CA :: 51.47 CB :: 41.58 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 :: 8.34 HA :: 4.67 HB2 :: 2.46 HB3 :: 2.79 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 :: 127.86 Ave N Shift Values>> N :: 120.65(3.86) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.24 CA :: 60.13 CB :: 63.03 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.42 HA :: 3.71 HB2 :: 4.00 HB3 :: 4.43 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 :: 119.80 Ave N Shift Values>> N :: 116.28(3.52) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.20 CA :: 61.36 CB :: 62.77 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.31 HA :: 4.40 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 :: 118.60 Ave N Shift Values>> N :: 116.28(3.52) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.33 L 0.11 F 0.07 Y 0.05 C Shift Assignments>> C :: 173.62 CA :: 52.74 CB :: 40.00 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 :: 7.29 HA :: 4.81 HB2 :: 2.31 HB3 :: 2.70 HD21 :: 8.28 HD22 :: 6.81 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 :: 116.35 ND2 :: 116.26 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.82 CA :: 59.34 CB :: 61.65 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.67 HA :: 3.79 HB2 :: 4.51 HB3 :: 4.03 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 :: 115.41 Ave N Shift Values>> N :: 116.28(3.52) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.69 CA :: 59.53 CB :: 41.13 CG1 :: 27.47 CG2 :: 18.00 CD1 :: 12.83 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 :: 7.38 HA :: 4.78 HB :: 1.58 HG12 :: 0.86 HG13 :: 1.46 HG21 :: 0.76 HG22 :: 0.76 HG23 :: 0.76 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 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 :: 117.10 Ave N Shift Values>> N :: 121.46(4.28) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.36 A 0.01 C Shift Assignments>> C :: 173.81 CA :: 53.72 CB :: 45.83 CG :: 26.96 CD1 :: 25.92 CD2 :: 24.13 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 :: 9.60 HA :: 4.98 HB2 :: 1.28 HB3 :: 2.05 HG :: 1.50 HD11 :: 0.68 HD12 :: 0.68 HD13 :: 0.68 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 :: 131.62 Ave N Shift Values>> N :: 121.86(3.9) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 Q 0.25 E 0.21 K 0.03 C Shift Assignments>> C :: 174.32 CA :: 54.99 CB :: 31.47 CG :: 34.75 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 :: 8.88 HA :: 5.30 HB2 :: 1.90 HB3 :: 1.75 HG2 :: 2.22 HG3 :: 2.07 HE21 :: 7.10 HE22 :: 6.77 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 :: 125.91 NE2 :: 111.35 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.27 A 0.02 C Shift Assignments>> C :: 175.91 CA :: 52.13 CB :: 46.36 CG :: 27.13 CD1 :: 25.39 CD2 :: 24.22 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 :: 8.80 HA :: 5.24 HB2 :: 1.45 HB3 :: 1.03 HG :: 1.37 HD11 :: 0.49 HD12 :: 0.49 HD13 :: 0.49 HD21 :: 0.52 HD22 :: 0.52 HD23 :: 0.52 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 :: 122.64 Ave N Shift Values>> N :: 121.86(3.9) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.13 G 0.09 C Shift Assignments>> C :: 176.66 CA :: 55.17 CB :: 31.29 CG :: 27.34 CD :: 43.25 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.49 HA :: 4.89 HB2 :: 1.74 HB3 :: 1.71 HG2 :: 1.72 HG3 :: 1.50 HD2 :: 3.22 HD3 :: 3.16 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 :: 123.35 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.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.15 A 0.04 G 0.02 HN Overlap>> 1.V50 1.V50 C Shift Assignments>> C :: 178.57 CA :: 54.72 CB :: 42.27 CG :: 27.44 CD1 :: 23.33 CD2 :: 25.67 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 :: 9.03 HA :: 4.69 HB2 :: 1.83 HB3 :: 1.83 HG :: 1.63 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.86 HD22 :: 0.86 HD23 :: 0.86 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 :: 128.85 Ave N Shift Values>> N :: 121.86(3.9) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.44 I 0.02 C Shift Assignments>> C :: 177.67 CA :: 54.70 CB :: 18.39 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.69 HA :: 4.16 HB1 :: 1.47 HB2 :: 1.47 HB3 :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.70 Ave N Shift Values>> N :: 123.23(3.54) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 M 0.06 E 0.06 Y 0.05 D 0.04 F 0.04 C Shift Assignments>> C :: 175.56 CA :: 52.31 CB :: 37.02 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 :: 7.65 HA :: 4.63 HB2 :: 3.3 HB3 :: 2.8 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.57 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.3 D 0.14 L 0.1 N 0.06 I 0.06 C Shift Assignments>> C :: 175.22 CA :: 56.80 CB :: 39.52 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 :: 8.32 HA :: 4.29 HB2 :: 3.00 HB3 :: 2.92 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.05 Ave N Shift Values>> N :: 120.65(3.86) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.62 CA :: 58.40 CB :: 64.69 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.66 HA :: 4.60 HB2 :: 3.86 HB3 :: 3.99 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 :: 114.70 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 0.99 C Shift Assignments>> C :: 174.16 CA :: 61.16 CB :: 70.94 CG2 :: 21.51 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 :: 8.44 HA :: 5.28 HB :: 3.96 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 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 :: 114.41 Ave N Shift Values>> N :: 115.42(4.75) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.38 G 0.03 C Shift Assignments>> C :: 174.34 CA :: 54.69 CB :: 36.72 CG :: 25.05 CD :: 29.33 CE :: 42.10 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 :: 9.19 HA :: 4.67 HB2 :: 1.65 HB3 :: 1.65 HG2 :: 1.4 HG3 :: 1.2 HD2 :: 1.54 HD3 :: 1.54 HE2 :: 3.0 HE3 :: 3.0 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 :: 127.21 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.42 CA :: 58.03 CB :: 63.98 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.76 HA :: 5.05 HB2 :: 3.65 HB3 :: 3.75 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 :: 123.24 Ave N Shift Values>> N :: 116.28(3.52) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.01 C Shift Assignments>> C :: 174.89 CA :: 59.59 CB :: 41.99 CG1 :: 27.30 CG2 :: 18.13 CD1 :: 14.00 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 :: 9.39 HA :: 4.35 HB :: 1.72 HG12 :: 1.00 HG13 :: 1.35 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 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 :: 126.61 Ave N Shift Values>> N :: 121.46(4.28) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 179.48 CA :: 61.88 CB :: 31.41 CG1 :: 22.31 CG2 :: 21.76 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.05 HA :: 4.68 HB :: 2.19 HG11 :: 1.09 HG12 :: 1.09 HG13 :: 1.09 HG21 :: 1.10 HG22 :: 1.10 HG23 :: 1.10 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 :: 128.74 Ave N Shift Values>> N :: 121.14(4.54) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.41 CA :: 66.33 CB :: 67.71 CG2 :: 24.11 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 :: 8.81 HA :: 3.74 HB :: 4.19 HG21 :: 1.43 HG22 :: 1.43 HG23 :: 1.43 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.68 Ave N Shift Values>> N :: 115.42(4.75) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 176.16 CA :: 58.19 CB :: 31.77 CG :: 24.29 CD :: 29.28 CE :: 42.03 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 :: 7.59 HA :: 4.23 HB2 :: 1.89 HB3 :: 1.89 HG2 :: 1.41 HG3 :: 1.41 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 :: 119.66 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 F 0.11 Y 0.08 N 0.08 R 0.01 C Shift Assignments>> C :: 175.26 CA :: 54.72 CB :: 41.24 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 :: 7.91 HA :: 4.76 HB2 :: 3.01 HB3 :: 2.75 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 :: 118.01 Ave N Shift Values>> N :: 120.65(3.86) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.34 CA :: 63.63 CB :: 38.63 CG1 :: 27.89 CG2 :: 17.31 CD1 :: 14.35 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 :: 7.42 HA :: 3.69 HB :: 1.82 HG12 :: 0.56 HG13 :: 1.76 HG21 :: 0.65 HG22 :: 0.65 HG23 :: 0.65 HD11 :: 0.66 HD12 :: 0.66 HD13 :: 0.66 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.69 Ave N Shift Values>> N :: 121.46(4.28) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.14 C Shift Assignments>> C :: 175.78 CA :: 57.30 CB :: 34.20 CG :: 24.93 CD :: 30.18 CE :: 41.60 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 :: 9.38 HA :: 4.39 HB2 :: 1.62 HB3 :: 1.49 HG2 :: 1.4 HG3 :: 1.4 HD2 :: 1.71 HD3 :: 1.64 HE2 :: 2.98 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 :: 130.06 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.23 R 0.07 D 0.05 F 0.01 HN Overlap>> 1.S11 1.S11 C Shift Assignments>> C :: 173.28 CA :: 52.94 CB :: 44.59 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 :: 8.32 HA :: 4.81 HB2 :: 2.57 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 :: 116.75 Ave N Shift Values>> N :: 120.65(3.86) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.2 C Shift Assignments>> C :: 173.75 CA :: 55.23 CB :: 46.20 CG :: 26.82 CD1 :: 26.74 CD2 :: 26.74 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 :: 8.70 HA :: 5.08 HB2 :: 1.59 HB3 :: 1.48 HG :: 1.50 HD11 :: 0.63 HD12 :: 0.63 HD13 :: 0.63 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 :: 120.37 Ave N Shift Values>> N :: 121.86(3.9) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 G 0.21 K 0.12 C Shift Assignments>> C :: 174.64 CA :: 54.47 CB :: 33.67 CG :: 26.97 CD :: 43.40 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 :: 8.79 HA :: 4.68 HB2 :: 1.78 HB3 :: 1.68 HG2 :: 1.60 HG3 :: 1.55 HD2 :: 3.18 HD3 :: 3.12 HE :: 7.29 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 :: 121.33 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.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.61 CA :: 61.73 CB :: 38.08 CG1 :: 28.61 CG2 :: 17.48 CD1 :: 13.42 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 :: 8.54 HA :: 4.33 HB :: 1.69 HG12 :: 1.54 HG13 :: 0.85 HG21 :: 1.04 HG22 :: 1.04 HG23 :: 1.04 HD11 :: 0.84 HD12 :: 0.84 HD13 :: 0.84 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 :: 125.49 Ave N Shift Values>> N :: 121.46(4.28) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 A 0.23 R 0.02 C Shift Assignments>> C :: 174.25 CA :: 52.40 CB :: 41.58 CG :: 27.08 CD1 :: 22.64 CD2 :: 25.53 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 :: 8.75 HA :: 4.65 HB2 :: 1.43 HB3 :: 1.43 HG :: 1.56 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 HD21 :: 0.72 HD22 :: 0.72 HD23 :: 0.72 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 :: 130.77 Ave N Shift Values>> N :: 121.86(3.9) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.95 A 0.04 C Shift Assignments>> CA :: 62.75 CB :: 34.37 CG :: 24.87 CD :: 50.49 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 :: 4.81 HB2 :: 2.39 HB3 :: 2.15 HG2 :: 1.94 HG3 :: 1.84 HD2 :: 3.58 HD3 :: 3.49 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.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> W 0.12 F 0.12 Y 0.12 E 0.1 K 0.09 S 0.09 R 0.08 Q 0.07 M 0.05 L 0.03 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.86 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) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.57 D 0.17 Y 0.08 F 0.08 L 0.04 M 0.01 C Shift Assignments>> C :: 174.91 CA :: 53.30 CB :: 38.63 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 :: 4.7 HB3 :: 2.8 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.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.18 Q 0.07 K 0.07 I 0.03 C Shift Assignments>> C :: 176.03 CA :: 56.61 CB :: 30.47 CG :: 36.33 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 :: 8.14 HA :: 4.28 HB2 :: 2.02 HB3 :: 1.91 HG2 :: 2.00 HG3 :: 1.90 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 :: 121.00 Ave N Shift Values>> N :: 120.67(3.48) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.88 CA :: 61.02 CB :: 38.47 CG1 :: 27.32 CG2 :: 17.62 CD1 :: 12.89 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 :: 7.99 HA :: 4.12 HB :: 1.83 HG12 :: 1.43 HG13 :: 1.16 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 HD11 :: 0.84 HD12 :: 0.84 HD13 :: 0.84 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 :: 121.42 Ave N Shift Values>> N :: 121.46(4.28) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 K 0.19 R 0.16 Q 0.12 W 0.08 E 0.04 P 0.01 C Shift Assignments>> C :: 173.86 CA :: 53.04 CB :: 32.49 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 :: 8.31 HA :: 4.79 HB2 :: 2.04 HB3 :: 1.96 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 :: 125.35 Ave N Shift Values>> N :: 120.09(3.57) 1.P67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.55 CA :: 58.70 CB :: 63.79 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.1 HB3 :: 4.0 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) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 2.T36 2.T36 C Shift Assignments>> CA :: 61.67 CB :: 69.83 CG2 :: 21.55 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 :: 8.03 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 :: 115.94 Ave N Shift Values>> N :: 115.42(4.75) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 Y 0.22 F 0.21 D 0.18 L 0.08 I 0.02 E 0.01 M 0.01 HN Overlap>> 1.L81 1.L81 C Shift Assignments>> C :: 173.65 CA :: 55.50 CB :: 38.99 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 :: 8.12 HA :: 4.90 HB2 :: 3.19 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) N Shift Assignments>> N :: 123.09 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.77 R 0.21 G 0.01 C Shift Assignments>> C :: 176.43 CA :: 56.38 CB :: 32.76 CG :: 24.72 CD :: 29.08 CE :: 42.12 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>> HB3 :: 1.6 HG3 :: 1.4 HD3 :: 1.6 HE3 :: 3.0 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) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.05 A 0.02 G 0.02 HN Overlap>> 1.N77 1.N77 C Shift Assignments>> C :: 177.31 CA :: 55.28 CB :: 42.30 CG :: 27.10 CD1 :: 23.56 CD2 :: 24.82 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 :: 8.10 HA :: 4.28 HB2 :: 1.57 HB3 :: 1.57 HG :: 1.62 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.91 HD22 :: 0.91 HD23 :: 0.91 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.10 Ave N Shift Values>> N :: 121.86(3.9) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.12 R 0.11 M 0.11 K 0.1 E 0.09 L 0.09 W 0.08 F 0.07 Y 0.06 D 0.04 S 0.03 N 0.01 A 0.01 HN Overlap>> 1.F30 1.M95 1.F30 1.M95 C Shift Assignments>> C :: 176.58 CA :: 56.48 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 :: 8.28 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 :: 122.23 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.86 M 0.12 C Shift Assignments>> C :: 177.77 CA :: 52.90 CB :: 19.20 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.26 HB1 :: 1.44 HB2 :: 1.44 HB3 :: 1.44 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.13 K 0.1 Q 0.09 I 0.05 HN Overlap>> 2.S10 2.S10 C Shift Assignments>> C :: 176.74 CA :: 56.77 CB :: 30.15 CG :: 36.27 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 :: 8.30 HA :: 4.29 HB3 :: 2.22 HG3 :: 2.24 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 :: 119.70 Ave N Shift Values>> N :: 120.67(3.48) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.00 CB :: 69.88 CG2 :: 21.52 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 :: 8.03 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 :: 114.49 Ave N Shift Values>> N :: 115.42(4.75) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.17 F 0.13 Y 0.1 N 0.05 R 0.02 C Shift Assignments>> C :: 173.85 CA :: 55.45 CB :: 41.29 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 :: 8.15 HA :: 4.58 HB2 :: 2.97 HB3 :: 2.97 HD1 :: 7.10 HD2 :: 7.10 HE1 :: 7.00 HE2 :: 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 :: 123.27 Ave N Shift Values>> N :: 120.52(4.2) 1.S88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.8 R 0.18 C Shift Assignments>> C :: 176.03 CA :: 56.74 CB :: 32.86 CG :: 24.32 CD :: 29.09 CE :: 42.00 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>> HB3 :: 1.6 HG3 :: 1.4 HD3 :: 1.6 HE3 :: 3.0 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) 1.W93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 E 0.18 W 0.18 K 0.18 R 0.15 M 0.05 I 0.02 C Shift Assignments>> C :: 175.94 CA :: 56.96 CB :: 29.44 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 :: 8.00 HA :: 4.71 HB2 :: 3.34 HB3 :: 3.23 HD1 :: 7.25 HE1 :: 10.11 HE3 :: 7.61 HZ2 :: 7.46 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 :: 120.88 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S94 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 :: 58.11 CB :: 64.01 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.90 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 :: 116.58 Ave N Shift Values>> N :: 116.28(3.52) 1.M95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 Q 0.22 E 0.04 HN Overlap>> 1.K82 1.K82 C Shift Assignments>> C :: 174.94 CA :: 55.39 CB :: 32.94 CG :: 33.55 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 :: 8.23 HA :: 4.4 HB3 :: 2.1 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 :: 122.27 Ave N Shift Values>> N :: 120.09(3.57) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.21 D 0.16 R 0.14 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> C :: 180.75 CA :: 55.86 CB :: 42.26 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 :: 7.89 HA :: 4.36 HB2 :: 2.66 HB3 :: 2.53 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 :: 126.46 Ave N Shift Values>> N :: 120.65(3.86) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.55 D 0.2 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 174.90 CA :: 53.24 CB :: 38.86 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 HB3 :: 2.8 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) 2.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.97 CA :: 61.12 CB :: 38.91 CG1 :: 27.14 CG2 :: 17.68 CD1 :: 13.14 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 :: 8.05 HA :: 4.22 HB :: 1.88 HG12 :: 1.4 HG13 :: 1.1 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 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 :: 120.71 Ave N Shift Values>> N :: 121.46(4.28) 2.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 174.27 CA :: 58.16 CB :: 63.89 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33 HA :: 4.51 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 :: 119.71 Ave N Shift Values>> N :: 116.28(3.52) 2.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.46 CA :: 62.07 CB :: 32.84 CG1 :: 20.33 CG2 :: 21.05 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 :: 8.07 HA :: 4.16 HB :: 2.08 HG11 :: 0.90 HG12 :: 0.90 HG13 :: 0.90 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 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 :: 121.09 Ave N Shift Values>> N :: 121.14(4.54) 2.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 K 0.11 N 0.1 F 0.09 Y 0.06 R 0.01 C Shift Assignments>> C :: 176.24 CA :: 54.17 CB :: 41.25 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 :: 8.33 HA :: 4.66 HB2 :: 2.73 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 :: 123.79 Ave N Shift Values>> N :: 120.65(3.86) 2.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.01 CA :: 62.71 CB :: 32.61 CG1 :: 20.41 CG2 :: 21.21 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 :: 8.06 HA :: 4.08 HB :: 2.11 HG11 :: 0.93 HG12 :: 0.93 HG13 :: 0.93 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 :: 119.89 Ave N Shift Values>> N :: 121.14(4.54) 2.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 F 0.11 N 0.1 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.45 CA :: 54.52 CB :: 41.12 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 :: 8.29 HA :: 4.64 HB2 :: 2.77 HB3 :: 2.59 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 :: 122.96 Ave N Shift Values>> N :: 120.65(3.86) 2.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 C Shift Assignments>> C :: 178.23 CA :: 53.40 CB :: 19.20 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16 HA :: 4.29 HB1 :: 1.44 HB2 :: 1.44 HB3 :: 1.44 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.09 Ave N Shift Values>> N :: 123.23(3.54) 2.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.11 Y 0.08 N 0.07 R 0.02 C Shift Assignments>> C :: 176.94 CA :: 54.85 CB :: 41.25 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 :: 4.62 HB2 :: 2.78 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 :: 119.50 Ave N Shift Values>> N :: 120.65(3.86) 2.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.35 I 0.01 C Shift Assignments>> C :: 178.78 CA :: 54.78 CB :: 18.93 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.43 HA :: 4.33 HB1 :: 1.59 HB2 :: 1.59 HB3 :: 1.59 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.27 Ave N Shift Values>> N :: 123.23(3.54) 2.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.28 CA :: 63.12 CB :: 62.95 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.30 HA :: 3.84 HB2 :: 4.17 HB3 :: 3.92 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 :: 114.18 Ave N Shift Values>> N :: 116.28(3.52) 2.S19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 182.87(S) CA :: 61.31 CB :: 62.47 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.10 HA :: 4.19 HB2 :: 4.07 HB3 :: 3.99 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.73 Ave N Shift Values>> N :: 116.28(3.52) 2.Q20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.1 HG3 :: 2.3 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) 2.L21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> L 0.84 A 0.15 C Shift Assignments>> C :: 177.68 CA :: 57.84 CB :: 39.27 CG :: 26.61 CD1 :: 21.64 CD2 :: 26.03 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 :: 8.02 HA :: 3.52 HB2 :: 0.19(S) HB3 :: 1.42 HG :: 1.04 HD11 :: 0.37 HD12 :: 0.37 HD13 :: 0.37 HD21 :: 0.42 HD22 :: 0.42 HD23 :: 0.42 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) 2.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 178.05 CA :: 58.56 CB :: 41.48 CG :: 26.64 CD1 :: 23.83 CD2 :: 26.03 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 :: 8.16 HA :: 3.78 HB2 :: 1.47 HB3 :: 1.91 HG :: 1.58 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 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 :: 118.68 Ave N Shift Values>> N :: 121.86(3.9) 2.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.73 CB :: 62.84 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.86 HA :: 4.12 HB2 :: 3.94 HB3 :: 3.94 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.26 Ave N Shift Values>> N :: 116.28(3.52) 2.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.11 G 0.03 C Shift Assignments>> C :: 179.70 CA :: 57.49 CB :: 42.62 CG :: 26.67 CD1 :: 25.62 CD2 :: 23.08 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 :: 7.79 HA :: 4.03 HB2 :: 1.83 HB3 :: 1.24 HG :: 1.74 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 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 :: 122.06 Ave N Shift Values>> N :: 121.86(3.9) 2.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.13 G 0.01 C Shift Assignments>> C :: 178.50 CA :: 57.02 CB :: 42.00 CG :: 25.91 CD1 :: 26.84 CD2 :: 23.83 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 :: 7.95 HA :: 3.71 HB2 :: 1.88 HB3 :: 1.09 HG :: 1.63 HD11 :: 0.51 HD12 :: 0.51 HD13 :: 0.51 HD21 :: 0.18 HD22 :: 0.18 HD23 :: 0.18 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.17 Ave N Shift Values>> N :: 121.86(3.9) 2.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.19 Q 0.02 V 0.01 C Shift Assignments>> C :: 177.44 CA :: 56.88 CB :: 31.86 CG :: 24.88 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 :: 7.94 HA :: 4.22 HB2 :: 1.76 HB3 :: 1.76 HG3 :: 1.4 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 :: 116.39 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.29 CB :: 63.71 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.77 HA :: 4.46 HB2 :: 3.97 HB3 :: 3.97 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 :: 114.64 Ave N Shift Values>> N :: 116.28(3.52) 2.S28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 173.75 CA :: 61.62 CB :: 70.11 CG2 :: 21.62 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>> HB :: 4.2 HG21 :: 1.2 HG22 :: 1.2 HG23 :: 1.2 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) 2.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.08 C Shift Assignments>> C :: 175.58 CA :: 50.59 CB :: 18.20 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.31 HA :: 4.61 HB1 :: 1.39 HB2 :: 1.39 HB3 :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.14 Ave N Shift Values>> N :: 123.23(3.54) 2.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.36 CB :: 32.06 CG :: 27.45 CD :: 50.46 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 :: 4.41 HB2 :: 2.3 HB3 :: 1.9 HG2 :: 2.03 HG3 :: 2.03 HD2 :: 3.82 HD3 :: 3.82 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) 2.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F8 1.F8 C Shift Assignments>> C :: 174.45 CA :: 58.56 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 :: 8.32 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 :: 115.28 Ave N Shift Values>> N :: 116.28(3.52) 2.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 N 0.11 F 0.11 K 0.1 Y 0.08 R 0.01 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 176.09 CA :: 54.45 CB :: 41.05 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 :: 8.31 HA :: 4.61 HB2 :: 2.67 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 :: 122.11 Ave N Shift Values>> N :: 120.65(3.86) 2.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.05 A 0.02 G 0.02 C Shift Assignments>> C :: 176.97 CA :: 55.13 CB :: 42.36 CG :: 26.95 CD1 :: 24.98 CD2 :: 23.41 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 :: 7.98 HA :: 4.72 HB2 :: 1.60 HB3 :: 1.60 HG :: 1.57 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 HD21 :: 0.86 HD22 :: 0.86 HD23 :: 0.86 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 :: 121.74 Ave N Shift Values>> N :: 121.86(3.9) 2.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.47 CA :: 52.36 CB :: 19.20 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 :: 4.35 HB1 :: 1.40 HB2 :: 1.40 HB3 :: 1.40 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.42 Ave N Shift Values>> N :: 123.23(3.54) 2.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T76 1.T76 C Shift Assignments>> C :: 172.74 CA :: 59.78 CB :: 69.78 CG2 :: 21.6 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 :: 8.01 HB :: 4.2 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 :: 116.02 Ave N Shift Values>> N :: 115.42(4.75) 2.P37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.F42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.97 CB :: 31.94 CG :: 27.28 CD :: 50.32 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) 2.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.24 CA :: 62.40 CB :: 32.72 CG1 :: 20.27 CG2 :: 21.34 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 :: 8.16 HA :: 4.05 HB :: 2.01 HG11 :: 0.93 HG12 :: 0.93 HG13 :: 0.93 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 :: 120.30 Ave N Shift Values>> N :: 121.14(4.54) 2.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 E 0.19 W 0.19 Q 0.17 M 0.1 K 0.09 C Shift Assignments>> C :: 176.21 CA :: 56.43 CB :: 30.35 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 :: 8.48 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.60 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 141 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 35 Shift Relative Order (SRO) Results: #Consistent: 144 #Suspicious: 0 C Shift Results: #Consistent: 435 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 676 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 101 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A6 HA = 2.35(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.4189e-05 2.S19 C = 182.87(S), Expected = 174.62, Std = 1.7200, ChiSquare = 1.6145e-06 2.L21 HB2 = 0.19(S), Expected = 1.61, Std = 0.3400, ChiSquare = 2.9607e-05