Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.37 L 0.28 G 0.1 C 0.08 D 0.04 F 0.04 K 0.04 C Shift Assignments>> CA :: 43.49 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.77 HA3 :: 3.13 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.74 M 0.21 C 0.02 C Shift Assignments>> C :: 177.57 CA :: 52.64 CB :: 19.38 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.28 HB1 :: 1.31 HB2 :: 1.31 HB3 :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.34 Q 0.14 K 0.05 E 0.03 C Shift Assignments>> C :: 176.15 CA :: 55.26 CB :: 32.67 CG :: 31.98 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.42 HA :: 4.40 HB2 :: 1.96 HB3 :: 1.86 HG2 :: 2.41 HG3 :: 2.36 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.85 Ave N Shift Values>> N :: 120.1(3.88) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 C Shift Assignments>> C :: 171.92 CA :: 44.52 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.19 HA2 :: 4.08 HA3 :: 3.98 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.24 Ave N Shift Values>> N :: 109.91(4.29) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> CA :: 63.47 CB :: 32.07 CG :: 27.13 CD :: 49.63 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.37 HG3 :: 1.88 HD2 :: 3.54 HD3 :: 3.49 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.21 CA :: 61.15 CB :: 70.06 CG2 :: 21.49 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.08 HA :: 4.15 HB :: 4.12 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.92 Ave N Shift Values>> N :: 115.7(5.05) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 K 0.13 C 0.13 F 0.11 N 0.09 R 0.02 C Shift Assignments>> C :: 176.36 CA :: 54.90 CB :: 40.95 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.86 HA :: 4.36 HB2 :: 2.53 HB3 :: 2.53 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.08 Ave N Shift Values>> N :: 120.73(4.2) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.25 C 0.25 E 0.09 R 0.08 M 0.05 C Shift Assignments>> C :: 176.46 CA :: 56.58 CB :: 28.72 CG :: 33.57 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.10 HA :: 3.98 HB2 :: 1.81 HB3 :: 1.98 HG2 :: 2.15 HG3 :: 2.15 HE21 :: 6.79 HE22 :: 7.33 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.60 NE2 :: 112.73 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 C 0.16 F 0.15 L 0.15 N 0.14 K 0.06 I 0.01 C Shift Assignments>> C :: 176.58 CA :: 55.11 CB :: 40.25 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.35 HA :: 4.44 HB2 :: 2.53 HB3 :: 2.53 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.64 Ave N Shift Values>> N :: 120.73(4.2) 1.W10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.12 C 0.12 H 0.12 Q 0.11 K 0.09 M 0.04 I 0.04 V 0.01 C Shift Assignments>> C :: 177.01 CA :: 57.99 CB :: 29.86 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.03 HA :: 4.65 HB2 :: 3.01 HB3 :: 3.35 HD1 :: 7.20 HE1 :: 9.95 HE3 :: 7.26 HZ2 :: 7.37 HZ3 :: 6.74 HH2 :: 7.07 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.39 NE1 :: 128.75 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.56 CA :: 63.46 CB :: 35.91 CG1 :: 28.27 CG2 :: 17.30 CD1 :: 11.87 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.53 HA :: 3.40 HB :: 1.94 HG12 :: 1.21 HG13 :: 1.59 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.33 Ave N Shift Values>> N :: 121.6(4.72) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 174.30 CA :: 44.90 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.09 HA2 :: 4.35 HA3 :: 3.54 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.29 Ave N Shift Values>> N :: 109.91(4.29) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 C 0.14 W 0.13 R 0.09 K 0.09 E 0.08 Q 0.07 H 0.06 P 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 173.60 CA :: 60.19 CB :: 28.37 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.04 HA :: 4.35 HB2 :: 2.67 HB3 :: 3.04 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.01 Ave N Shift Values>> N :: 119.95(4.79) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.02 C Shift Assignments>> C :: 177.22 CA :: 51.31 CB :: 19.09 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.60 HA :: 5.09 HB1 :: 1.27 HB2 :: 1.27 HB3 :: 1.27 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.20 Ave N Shift Values>> N :: 123.23(3.7) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.11 V 0.04 A 0.01 C Shift Assignments>> C :: 173.97 CA :: 58.91 CB :: 36.84 CG1 :: 22.19 CG2 :: 18.25 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.92 HA :: 5.27 HB :: 1.96 HG11 :: 0.84 HG12 :: 0.84 HG13 :: 0.84 HG21 :: 0.73 HG22 :: 0.73 HG23 :: 0.73 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.37 Ave N Shift Values>> N :: 121.02(4.96) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.73 CA :: 56.35 CB :: 64.00 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.78 HA :: 5.29 HB2 :: 3.52 HB3 :: 3.71 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.48 Ave N Shift Values>> N :: 116.3(3.95) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 173.94 CA :: 60.41 CB :: 41.30 CG1 :: 27.88 CG2 :: 19.37 CD1 :: 14.67 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.87 HA :: 4.77 HB :: 1.66 HG12 :: 1.40 HG13 :: 0.77 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.68 Ave N Shift Values>> N :: 121.6(4.72) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.14 C 0.02 L 0.01 C Shift Assignments>> C :: 176.87 CA :: 51.78 CB :: 19.70 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.71 HA :: 4.90 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.13 Ave N Shift Values>> N :: 123.23(3.7) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.14 C 0.13 H 0.12 Q 0.1 K 0.07 M 0.06 I 0.03 V 0.02 C Shift Assignments>> C :: 173.54 CA :: 57.88 CB :: 30.40 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.12 HA :: 5.05 HB2 :: 3.50 HB3 :: 3.27 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.48 Ave N Shift Values>> N :: 119.95(4.79) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.22 K 0.16 C 0.11 F 0.1 N 0.06 R 0.05 C Shift Assignments>> C :: 176.18 CA :: 54.81 CB :: 41.35 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.37 HA :: 4.47 HB2 :: 2.84 HB3 :: 2.78 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.85 Ave N Shift Values>> N :: 120.73(4.2) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.07 Q 0.02 M 0.01 HN Overlap>> 1.R45 1.R45 C Shift Assignments>> C :: 177.41 CA :: 59.45 CB :: 29.31 CG :: 36.29 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.77 HA :: 3.93 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 2.26 HG3 :: 2.26 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.98 Ave N Shift Values>> N :: 120.68(3.68) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.26 CA :: 64.73 CB :: 31.51 CG1 :: 21.03 CG2 :: 21.03 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.93 HA :: 3.76 HB :: 2.11 HG11 :: 0.92 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.11 Ave N Shift Values>> N :: 121.02(4.96) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.31 R 0.13 G 0.08 C Shift Assignments>> C :: 177.47 CA :: 57.17 CB :: 43.34 CG :: 27.57 CD1 :: 24.92 CD2 :: 23.39 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.06 HA :: 4.28 HB2 :: 1.89 HB3 :: 1.62 HG :: 1.72 HD11 :: 1.00 HD12 :: 1.00 HD13 :: 1.00 HD21 :: 0.94 HD22 :: 0.94 HD23 :: 0.94 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.61 Ave N Shift Values>> N :: 121.98(4.07) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 C Shift Assignments>> C :: 171.90 CA :: 44.41 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.15 HA2 :: 3.60 HA3 :: 4.17 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.71 Ave N Shift Values>> N :: 109.91(4.29) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.79 CA :: 60.41 CB :: 33.71 CG1 :: 20.86 CG2 :: 20.69 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.66 HA :: 4.90 HB :: 1.87 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.22 Ave N Shift Values>> N :: 121.02(4.96) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.28 C 0.12 K 0.09 D 0.07 F 0.06 G 0.05 C Shift Assignments>> C :: 175.39 CA :: 56.05 CB :: 43.31 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.56 HA :: 5.65 HB2 :: 2.76 HB3 :: 2.69 HD1 :: 7.03 HD2 :: 7.03 HE1 :: 7.11 HE2 :: 7.11 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.33 Ave N Shift Values>> N :: 120.69(4.18) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.34 Q 0.12 E 0.1 K 0.01 C Shift Assignments>> C :: 175.06 CA :: 54.22 CB :: 32.35 CG :: 34.42 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.64 HA :: 5.70 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 2.28 HG3 :: 2.28 HE21 :: 7.18 HE22 :: 6.56 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.37 NE2 :: 111.27 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 170.38 CA :: 45.95 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.26 HA2 :: 4.00 HA3 :: 4.32 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.44 Ave N Shift Values>> N :: 109.91(4.29) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.23 C 0.18 R 0.05 A 0.03 HN Overlap>> 1.R45 1.R45 C Shift Assignments>> C :: 177.83 CA :: 52.75 CB :: 43.84 CG :: 27.20 CD1 :: 23.60 CD2 :: 25.27 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.62 HA :: 5.16 HB3 :: 1.46 HG :: 1.48 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.80 HD22 :: 0.80 HD23 :: 0.80 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.93 Ave N Shift Values>> N :: 121.98(4.07) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 176.15 CA :: 63.60 CB :: 36.80 CG1 :: 28.57 CG2 :: 18.10 CD1 :: 13.84 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.47 HA :: 3.95 HB :: 2.33 HG12 :: 1.86 HG13 :: 0.88 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.31 Ave N Shift Values>> N :: 121.6(4.72) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.34 R 0.21 M 0.02 C Shift Assignments>> C :: 174.71 CA :: 56.53 CB :: 35.55 CG :: 25.07 CD :: 29.62 CE :: 41.89 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.36 HA :: 4.45 HB2 :: 1.69 HB3 :: 1.39 HG2 :: 1.40 HG3 :: 1.22 HD2 :: 1.56 HD3 :: 1.39 HE2 :: 2.87 HE3 :: 2.83 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 131.59 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.32 Q 0.16 E 0.06 K 0.03 C Shift Assignments>> C :: 172.44 CA :: 54.97 CB :: 32.15 CG :: 33.56 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.68 HA :: 4.51 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 2.27 HG3 :: 2.27 HE21 :: 7.34 HE22 :: 6.65 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.51 NE2 :: 110.48 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I33 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 :: 172.83 CA :: 61.10 CB :: 41.54 CG1 :: 28.35 CG2 :: 16.19 CD1 :: 14.70 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.71 HA :: 4.59 HB :: 1.55 HG12 :: 1.41 HG13 :: 0.83 HG21 :: 0.75 HG22 :: 0.75 HG23 :: 0.75 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.75 Ave N Shift Values>> N :: 121.6(4.72) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 T 0.22 C Shift Assignments>> C :: 172.75 CA :: 55.72 CB :: 66.89 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.62 HA :: 4.72 HB2 :: 4.27 HB3 :: 3.89 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.55 Ave N Shift Values>> N :: 116.3(3.95) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 178.55 CA :: 54.43 CB :: 18.23 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.50 HA :: 4.02 HB1 :: 1.37 HB2 :: 1.37 HB3 :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.04 Ave N Shift Values>> N :: 123.23(3.7) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.32 M 0.2 I 0.02 Q 0.01 K 0.01 HN Overlap>> 1.S66 1.S66 C Shift Assignments>> C :: 177.57 CA :: 57.19 CB :: 32.11 CG :: 36.33 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.00 HA :: 4.32 HB2 :: 1.99 HB3 :: 1.86 HG2 :: 2.19 HG3 :: 2.13 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 112.24 Ave N Shift Values>> N :: 120.68(3.68) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.3 E 0.11 Q 0.02 C Shift Assignments>> C :: 173.60 CA :: 55.22 CB :: 33.68 CG :: 35.38 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.77 HA :: 5.16 HB2 :: 1.59 HB3 :: 1.85 HG2 :: 1.89 HG3 :: 1.89 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.73 Ave N Shift Values>> N :: 120.68(3.68) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 173.72 CA :: 59.87 CB :: 41.66 CG1 :: 28.18 CG2 :: 17.24 CD1 :: 13.68 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.98 HA :: 4.53 HB :: 1.45 HG12 :: 1.56 HG13 :: 0.93 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 HD11 :: 0.61 HD12 :: 0.61 HD13 :: 0.61 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.16 Ave N Shift Values>> N :: 121.6(4.72) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.77 CA :: 61.44 CB :: 69.72 CG2 :: 21.35 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.63 HA :: 5.23 HB :: 3.82 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.94 Ave N Shift Values>> N :: 115.7(5.05) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.46 A 0.02 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> C :: 174.14 CA :: 58.44 CB :: 41.64 CG1 :: 25.98 CG2 :: 17.58 CD1 :: 13.39 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.15 HA :: 5.44 HB :: 1.62 HG12 :: 1.41 HG13 :: 0.89 HG21 :: 0.56 HG22 :: 0.56 HG23 :: 0.56 HD11 :: 0.56 HD12 :: 0.56 HD13 :: 0.56 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.03 Ave N Shift Values>> N :: 121.6(4.72) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.2 I 0.04 A 0.01 C Shift Assignments>> C :: 175.25 CA :: 59.04 CB :: 34.87 CG1 :: 22.62 CG2 :: 18.74 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.85 HA :: 5.06 HB :: 2.29 HG11 :: 0.87 HG12 :: 0.87 HG13 :: 0.87 HG21 :: 0.85 HG22 :: 0.85 HG23 :: 0.85 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.07 Ave N Shift Values>> N :: 121.02(4.96) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.29 G 0.21 L 0.11 K 0.01 C Shift Assignments>> C :: 176.20 CA :: 56.72 CB :: 28.05 CG :: 28.00 CD :: 44.09 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.44 HA :: 3.82 HG2 :: 1.66 HG3 :: 1.66 HD2 :: 3.17 HD3 :: 3.17 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.22 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 L 0.22 M 0.21 C 0.09 K 0.01 C Shift Assignments>> C :: 178.04 CA :: 52.85 CB :: 21.63 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.17 HA :: 5.26 HB1 :: 1.27 HB2 :: 1.27 HB3 :: 1.27 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.89 Ave N Shift Values>> N :: 123.23(3.7) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.24 K 0.15 C 0.11 D 0.1 F 0.07 G 0.02 C Shift Assignments>> C :: 174.92 CA :: 55.86 CB :: 42.77 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.46 HA :: 5.02 HB2 :: 3.01 HB3 :: 2.36 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 7.24 HE2 :: 7.24 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.12 Ave N Shift Values>> N :: 120.69(4.18) 1.R45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.L29 1.E21 1.L29 1.E21 H Shift Assignments>> H :: 8.66 HA :: 4.57 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.98 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 N 0.28 E 0.15 M 0.1 F 0.04 K 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 175.25 CA :: 53.88 CB :: 36.52 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.79 HA :: 4.29 HB2 :: 2.79 HB3 :: 2.95 HD21 :: 7.50 HD22 :: 6.90 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.96 ND2 :: 112.63 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.77 CA :: 45.13 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.06 HA2 :: 4.13 HA3 :: 3.57 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.66 Ave N Shift Values>> N :: 109.91(4.29) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 173.82 CA :: 58.96 CB :: 34.04 CG1 :: 20.55 CG2 :: 20.56 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.84 HA :: 4.60 HB :: 2.12 HG11 :: 0.94 HG12 :: 0.94 HG13 :: 0.94 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.47 Ave N Shift Values>> N :: 121.02(4.96) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.69 CB :: 31.06 CG :: 27.22 CD :: 50.33 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.72 HB2 :: 2.11 HB3 :: 1.65 HD2 :: 3.56 HD3 :: 3.73 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.36 R 0.12 A 0.02 C Shift Assignments>> C :: 178.92 CA :: 55.17 CB :: 41.49 CG :: 28.30 CD1 :: 23.29 CD2 :: 25.22 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.01 HA :: 4.23 HB2 :: 1.43 HB3 :: 1.43 HG :: 1.56 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 HD21 :: 0.84 HD22 :: 0.84 HD23 :: 0.84 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.38 Ave N Shift Values>> N :: 121.98(4.07) 1.R51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.27 Q 0.25 K 0.23 E 0.12 R 0.06 M 0.02 I 0.02 C Shift Assignments>> CA :: 57.71 CB :: 28.32 CG :: 34.04 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.10 HB2 :: 2.07 HB3 :: 2.02 HG2 :: 2.34 HG3 :: 2.34 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.28 I 0.28 F 0.16 C 0.14 D 0.07 E 0.02 L 0.01 C Shift Assignments>> C :: 174.21 CB :: 38.74 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.23 C 0.02 C Shift Assignments>> C :: 175.58 CA :: 52.86 CB :: 19.30 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.47 HA :: 4.07 HB1 :: 1.40 HB2 :: 1.40 HB3 :: 1.40 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.24 Ave N Shift Values>> N :: 123.23(3.7) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.34 M 0.18 K 0.03 Q 0.02 I 0.01 C Shift Assignments>> C :: 176.07 CA :: 54.82 CB :: 31.07 CG :: 36.48 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.71 HA :: 5.01 HB2 :: 1.74 HB3 :: 1.82 HG2 :: 2.11 HG3 :: 1.84 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.61 Ave N Shift Values>> N :: 120.68(3.68) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.37 C Shift Assignments>> C :: 173.11 CA :: 61.46 CB :: 34.61 CG1 :: 20.40 CG2 :: 21.57 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.85 HA :: 4.07 HB :: 1.58 HG11 :: 0.43 HG12 :: 0.43 HG13 :: 0.43 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.52 Ave N Shift Values>> N :: 121.02(4.96) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.59 CA :: 61.20 CB :: 32.52 CG1 :: 20.96 CG2 :: 20.74 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.19 HA :: 4.50 HB :: 1.75 HG11 :: 0.57 HG12 :: 0.57 HG13 :: 0.57 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.34 Ave N Shift Values>> N :: 121.02(4.96) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.31 C 0.17 A 0.08 R 0.04 C Shift Assignments>> C :: 175.85 CA :: 52.39 CB :: 43.98 CG :: 26.83 CD1 :: 22.86 CD2 :: 25.89 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.03 HA :: 4.55 HB2 :: 1.39 HB3 :: 0.96 HG :: 0.99 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 HD21 :: 0.20 HD22 :: 0.20 HD23 :: 0.20 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.28 Ave N Shift Values>> N :: 121.98(4.07) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.32 R 0.22 M 0.02 HN Overlap>> 1.I40 1.I40 C Shift Assignments>> C :: 179.16 CA :: 55.08 CB :: 32.22 CG :: 24.73 CD :: 28.58 CE :: 41.88 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.11 HA :: 4.48 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.53 HG3 :: 1.53 HD2 :: 1.59 HD3 :: 1.59 HE2 :: 2.90 HE3 :: 2.90 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.97 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.28 C 0.11 R 0.04 W 0.02 K 0.02 V 0.01 C Shift Assignments>> C :: 176.90 CA :: 62.01 CB :: 26.14 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.48 HA :: 3.77 HB2 :: 2.99 HB3 :: 2.69 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.51 Ave N Shift Values>> N :: 119.95(4.79) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.29 CA :: 63.85 CB :: 68.33 CG2 :: 22.05 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.83 HA :: 4.02 HB :: 4.24 HG21 :: 1.22 HG22 :: 1.22 HG23 :: 1.22 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.77 Ave N Shift Values>> N :: 115.7(5.05) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.2 K 0.19 C 0.1 R 0.1 F 0.08 N 0.03 C Shift Assignments>> C :: 175.75 CA :: 54.97 CB :: 41.88 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.61 HA :: 4.73 HB2 :: 2.77 HB3 :: 2.77 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.96 Ave N Shift Values>> N :: 120.73(4.2) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 175.70 CA :: 63.05 CB :: 39.22 CG1 :: 26.82 CG2 :: 17.40 CD1 :: 14.23 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.10 HA :: 3.89 HB :: 1.77 HG12 :: 0.66 HG13 :: 1.75 HG21 :: 0.65 HG22 :: 0.65 HG23 :: 0.65 HD11 :: 0.58 HD12 :: 0.58 HD13 :: 0.58 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.29 Ave N Shift Values>> N :: 121.6(4.72) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.19 G 0.02 C Shift Assignments>> C :: 176.85 CA :: 56.23 CB :: 30.63 CG :: 27.07 CD :: 42.61 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.43 HA :: 4.47 HB2 :: 1.76 HB3 :: 1.76 HG2 :: 1.56 HG3 :: 1.56 HD2 :: 3.05 HD3 :: 3.05 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.66 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> C :: 171.79 CA :: 58.15 CB :: 65.02 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.91 HA :: 4.53 HB2 :: 3.78 HB3 :: 3.78 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.22 Ave N Shift Values>> N :: 116.3(3.95) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.Q75 1.Q75 C Shift Assignments>> C :: 173.07 CA :: 60.65 CB :: 41.00 CG1 :: 28.11 CG2 :: 15.54 CD1 :: 13.91 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.32 HA :: 4.77 HB :: 1.47 HG12 :: 1.38 HG13 :: 0.75 HG21 :: 0.56 HG22 :: 0.56 HG23 :: 0.56 HD11 :: 0.51 HD12 :: 0.51 HD13 :: 0.51 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.31 Ave N Shift Values>> N :: 121.6(4.72) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.15 C 0.1 R 0.05 D 0.03 C Shift Assignments>> C :: 174.80 CA :: 52.69 CB :: 44.79 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.73 HA :: 5.11 HB2 :: 2.50 HB3 :: 2.34 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.40 Ave N Shift Values>> N :: 120.73(4.2) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 K 0.28 C 0.21 R 0.03 G 0.01 C Shift Assignments>> C :: 176.91 CA :: 55.58 CB :: 42.41 CG :: 27.08 CD2 :: 24.33 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.73 HA :: 4.38 HB2 :: 1.39 HB3 :: 1.54 HG :: 1.23 HD21 :: 0.59 HD22 :: 0.59 HD23 :: 0.59 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.86 Ave N Shift Values>> N :: 121.98(4.07) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 175.69 CA :: 61.35 CB :: 38.36 CG1 :: 27.01 CG2 :: 17.13 CD1 :: 12.57 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.35 HA :: 4.10 HB :: 1.55 HG12 :: 0.86 HG13 :: 1.22 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.23 Ave N Shift Values>> N :: 121.6(4.72) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.27 M 0.22 Q 0.07 K 0.05 C Shift Assignments>> C :: 173.82 CA :: 53.89 CB :: 30.90 CG :: 35.83 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.13 HA :: 4.64 HB2 :: 1.86 HB3 :: 1.98 HG2 :: 2.20 HG3 :: 2.20 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.94 Ave N Shift Values>> N :: 120.68(3.68) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> CA :: 62.79 CB :: 32.15 CG :: 27.17 CD :: 50.69 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.40 HB2 :: 2.20 HB3 :: 1.79 HG2 :: 1.93 HG3 :: 1.93 HD2 :: 3.63 HD3 :: 3.63 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 C Shift Assignments>> C :: 177.78 CA :: 52.44 CB :: 19.01 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.20 HA :: 4.14 HB1 :: 1.32 HB2 :: 1.32 HB3 :: 1.32 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.77 Ave N Shift Values>> N :: 123.23(3.7) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.16 M 0.03 C Shift Assignments>> C :: 176.48 CA :: 56.13 CB :: 33.10 CG :: 24.71 CD :: 28.95 CE :: 42.03 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.23 HA :: 4.21 HB2 :: 1.77 HB3 :: 1.69 HG2 :: 1.38 HG3 :: 1.38 HD2 :: 1.61 HD3 :: 1.61 HE2 :: 2.92 HE3 :: 2.92 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.92 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 M 0.12 E 0.1 R 0.03 HN Overlap>> 1.I67 1.I67 C Shift Assignments>> C :: 175.37 CA :: 55.59 CB :: 29.84 CG :: 33.71 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.32 HA :: 4.28 HB2 :: 2.00 HB3 :: 1.88 HG2 :: 2.27 HG3 :: 2.27 HE21 :: 6.77 HE22 :: 7.46 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.31 NE2 :: 112.19 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.12 C 0.12 K 0.11 F 0.09 R 0.02 C Shift Assignments>> C :: 176.22 CA :: 54.11 CB :: 41.00 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.34 HA :: 4.54 HB2 :: 2.64 HB3 :: 2.54 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.68 Ave N Shift Values>> N :: 120.73(4.2) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 177.30 CA :: 55.33 CB :: 42.11 CG :: 26.81 CD1 :: 23.18 CD2 :: 24.95 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.19 HA :: 4.22 HB2 :: 1.61 HB3 :: 1.54 HG :: 1.59 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.83 HD22 :: 0.83 HD23 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.61 Ave N Shift Values>> N :: 121.98(4.07) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 K 0.14 C 0.12 F 0.09 N 0.09 R 0.03 C Shift Assignments>> C :: 176.69 CA :: 54.54 CB :: 41.13 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.23 HA :: 4.51 HB2 :: 2.62 HB3 :: 2.55 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.29 Ave N Shift Values>> N :: 120.73(4.2) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.24 CA :: 45.47 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.21 HA2 :: 3.83 HA3 :: 3.83 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.85 Ave N Shift Values>> N :: 109.91(4.29) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 W 0.13 E 0.13 C 0.12 Q 0.12 M 0.08 K 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 175.36 CA :: 56.32 CB :: 30.48 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.17 HA :: 4.61 HB2 :: 3.12 HB3 :: 3.05 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.26 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.63 CA :: 61.67 CB :: 69.86 CG2 :: 21.48 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.06 HA :: 4.24 HB :: 4.08 HG21 :: 1.10 HG22 :: 1.10 HG23 :: 1.10 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.73 Ave N Shift Values>> N :: 115.7(5.05) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 174.67 CA :: 50.32 CB :: 18.08 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.24 HA :: 4.51 HB1 :: 1.28 HB2 :: 1.28 HB3 :: 1.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.26 Ave N Shift Values>> N :: 123.23(3.7) 1.P83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 3.74 HD3 :: 3.58 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.98 C 0.01 C Shift Assignments>> CA :: 62.86 CD :: 50.27 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.01 CA :: 62.24 CB :: 32.75 CG1 :: 20.76 CG2 :: 20.76 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.09 HA :: 4.06 HB :: 1.97 HG11 :: 0.84 HG12 :: 0.84 HG13 :: 0.84 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.55 Ave N Shift Values>> N :: 121.02(4.96) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.43 C 0.19 P 0.19 W 0.04 K 0.03 I 0.02 Q 0.02 M 0.02 R 0.01 E 0.01 C Shift Assignments>> C :: 175.44 CA :: 61.97 CB :: 33.48 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.13 HA :: 4.05 HB :: 1.95 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.04 Ave N Shift Values>> N :: 121.02(4.96) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.19 C 0.17 F 0.06 L 0.03 E 0.01 C Shift Assignments>> CA :: 52.96 CB :: 38.71 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.43 HA :: 4.63 HB3 :: 2.66 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.01 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.81 CB :: 32.00 CG :: 27.24 CD :: 50.49 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.T91 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 :: 172.77 CA :: 59.77 CB :: 69.68 CG2 :: 21.35 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.28 HA :: 4.48 HB :: 4.07 HG21 :: 1.21 HG22 :: 1.21 HG23 :: 1.21 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.89 Ave N Shift Values>> N :: 115.7(5.05) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.86 CB :: 31.93 CG :: 27.26 CD :: 50.84 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.67 CA :: 62.08 CB :: 32.96 CG1 :: 20.75 CG2 :: 20.75 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.10 HA :: 3.98 HB :: 1.95 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.85 HG22 :: 0.85 HG23 :: 0.85 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.77 Ave N Shift Values>> N :: 121.02(4.96) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.16 M 0.03 C Shift Assignments>> C :: 175.73 CA :: 55.59 CB :: 32.99 CG :: 24.60 CD :: 29.00 CE :: 41.94 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.26 HA :: 4.30 HB2 :: 1.71 HB3 :: 1.64 HG2 :: 1.35 HG3 :: 1.29 HD2 :: 1.59 HD3 :: 1.59 HE2 :: 2.91 HE3 :: 2.91 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.62 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.21 A 0.07 R 0.01 HN Overlap>> 1.L102 1.L102 C Shift Assignments>> C :: 175.26 CA :: 52.75 CB :: 41.52 CG :: 26.69 CD1 :: 23.09 CD2 :: 25.06 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.16 HA :: 4.49 HB2 :: 1.52 HB3 :: 1.40 HG :: 1.54 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.51 Ave N Shift Values>> N :: 121.98(4.07) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> CA :: 61.12 CB :: 30.50 CG :: 27.14 CD :: 50.22 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.61 HB2 :: 2.26 HB3 :: 1.82 HG2 :: 1.94 HG3 :: 1.88 HD2 :: 3.74 HD3 :: 3.56 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.15 H 0.14 W 0.13 C 0.12 E 0.12 Q 0.11 M 0.1 K 0.08 V 0.01 I 0.01 C Shift Assignments>> CA :: 56.30 CB :: 30.71 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.12 HB2 :: 2.92 HB3 :: 2.92 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.33 C 0.27 I 0.11 D 0.1 L 0.07 N 0.04 E 0.02 K 0.01 C Shift Assignments>> C :: 175.45 CA :: 57.41 CB :: 39.40 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> HA :: 4.54 HB2 :: 3.04 HB3 :: 2.91 HD1 :: 7.09 HD2 :: 7.09 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.30 CB :: 63.71 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.14 HA :: 4.31 HB2 :: 3.76 HB3 :: 3.72 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.04 Ave N Shift Values>> N :: 116.3(3.95) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.18 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 174.94 CA :: 53.18 CB :: 38.66 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HB2 :: 2.78 HB3 :: 2.72 HD21 :: 6.81 HD22 :: 7.51 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 112.58 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 175.96 CA :: 61.40 CB :: 38.61 CG1 :: 27.02 CG2 :: 17.35 CD1 :: 12.87 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.93 HA :: 4.08 HB :: 1.81 HG12 :: 1.36 HG13 :: 1.09 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.44 Ave N Shift Values>> N :: 121.6(4.72) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.06 A 0.03 G 0.01 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> C :: 176.58 CA :: 54.95 CB :: 42.23 CG :: 26.98 CD1 :: 23.12 CD2 :: 24.99 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.17 HA :: 4.32 HB2 :: 1.59 HB3 :: 1.53 HG :: 1.54 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.84 HD22 :: 0.84 HD23 :: 0.84 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.52 Ave N Shift Values>> N :: 121.98(4.07) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 178.74 CA :: 46.03 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.76 HA2 :: 3.67 HA3 :: 3.67 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.66 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 103 #Suspicious: 0 C Shift Results: #Consistent: 385 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 631 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 91 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0