Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 176.10 CA :: 46.67 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.39 HA2 :: 4.13 HA3 :: 3.65 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.25 Ave N Shift Values>> N :: 109.67(3.87) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.48 C Shift Assignments>> C :: 179.25 CA :: 58.80 CB :: 29.20 CG :: 35.70 CD :: 184.00 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 :: 8.07 HA :: 3.89 HB2 :: 2.01 HB3 :: 1.98 HG2 :: 2.23 HG3 :: 2.15 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 :: 119.80 Ave N Shift Values>> N :: 120.67(3.48) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 C 0.47 HN Overlap>> 1.N162 1.N162 1.Q160 1.Q160 C Shift Assignments>> C :: 177.87 CA :: 57.96 CB :: 29.40 CG :: 36.10 CD :: 183.50 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.89 HA :: 4.05 HB2 :: 2.08 HB3 :: 2.10 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.50 Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.29 A 0.01 C Shift Assignments>> C :: 177.48 CA :: 55.10 CB :: 41.80 CG :: 27.10 CD1 :: 24.00 CD2 :: 24.30 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.51 HA :: 4.07 HB2 :: 1.53 HB3 :: 1.31 HG :: 1.40 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 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 :: 117.95 Ave N Shift Values>> N :: 121.86(3.9) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 F 0.27 C Shift Assignments>> C :: 176.37 CA :: 57.30 CB :: 39.10 CD1 :: 133.30 CD2 :: 133.30 CE1 :: 133.20 CE2 :: 133.20 CZ :: 130.00 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 :: 7.55 HA :: 4.68 HB2 :: 2.46 HB3 :: 2.46 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 7.03 HE2 :: 7.03 HZ :: 6.53 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 :: 114.50 Ave N Shift Values>> N :: 120.45(4.18) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.18 CA :: 63.20 CB :: 68.40 CG2 :: 22.20 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.33 HA :: 4.10 HB :: 4.33 HG21 :: 1.32 HG22 :: 1.32 HG23 :: 1.32 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 :: 114.25 Ave N Shift Values>> N :: 115.42(4.75) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.15 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 HN Overlap>> 1.G43 1.G43 C Shift Assignments>> C :: 172.32 CA :: 43.75 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.17 HA2 :: 4.42 HA3 :: 3.76 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.70 Ave N Shift Values>> N :: 109.67(3.87) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 177.10 CA :: 62.60 CB :: 31.60 CG1 :: 21.60 CG2 :: 21.70 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 :: 8.20 HA :: 4.41 HB :: 1.86 HG11 :: 0.96 HG12 :: 0.96 HG13 :: 0.96 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 :: 121.70 Ave N Shift Values>> N :: 121.14(4.54) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.29 C Shift Assignments>> C :: 173.72 CA :: 58.40 CB :: 35.30 CG1 :: 21.70 CG2 :: 21.80 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 :: 9.07 HA :: 4.87 HB :: 1.81 HG11 :: 0.98 HG12 :: 0.98 HG13 :: 0.98 HG21 :: 1.21 HG22 :: 1.21 HG23 :: 1.21 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 :: 132.80 Ave N Shift Values>> N :: 121.14(4.54) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 175.16 CA :: 62.10 CB :: 32.15 CG :: 27.20 CD :: 51.00 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 :: 4.83 HB2 :: 2.42 HB3 :: 2.06 HG2 :: 1.99 HG3 :: 2.02 HD2 :: 3.92 HD3 :: 4.19 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.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.18 G 0.09 A 0.02 C Shift Assignments>> C :: 176.11 CA :: 58.90 CB :: 42.80 CG1 :: 24.50 CG2 :: 18.00 CD1 :: 13.50 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 :: 8.06 HA :: 5.33 HB :: 1.87 HG12 :: 1.00 HG13 :: 0.73 HG21 :: 0.70 HG22 :: 0.70 HG23 :: 0.70 HD11 :: 0.41 HD12 :: 0.41 HD13 :: 0.41 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.95 Ave N Shift Values>> N :: 121.46(4.28) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.31 C 0.21 A 0.01 HN Overlap>> 1.L223 1.L223 C Shift Assignments>> C :: 174.76 CA :: 53.50 CB :: 46.20 CG :: 27.30 CD1 :: 24.80 CD2 :: 24.30 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 :: 8.62 HA :: 5.06 HB2 :: 1.65 HB3 :: 1.52 HG :: 1.52 HD11 :: 0.14 HD12 :: 0.14 HD13 :: 0.14 HD21 :: 1.04 HD22 :: 1.04 HD23 :: 1.04 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 :: 129.80 Ave N Shift Values>> N :: 121.86(3.9) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 174.98 CA :: 59.45 CB :: 35.30 CG1 :: 21.60 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 :: 8.73 HA :: 5.28 HB :: 1.80 HG11 :: 0.75 HG12 :: 0.75 HG13 :: 0.75 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 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 :: 123.55 Ave N Shift Values>> N :: 121.14(4.54) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.38 E 0.11 Q 0.04 C Shift Assignments>> C :: 173.68 CA :: 54.95 CB :: 33.30 CG :: 35.30 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 :: 8.82 HA :: 5.19 HB2 :: 1.87 HB3 :: 2.13 HG2 :: 2.27 HG3 :: 2.17 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.50 Ave N Shift Values>> N :: 120.67(3.48) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.19 C 0.19 HN Overlap>> 1.Q187 1.Q187 C Shift Assignments>> C :: 173.91 CA :: 53.40 CB :: 45.90 CG :: 26.80 CD1 :: 25.10 CD2 :: 26.60 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.13 HA :: 5.13 HB2 :: 1.53 HB3 :: 1.65 HG :: 1.18 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.55 HD22 :: 0.55 HD23 :: 0.55 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.50 Ave N Shift Values>> N :: 121.86(3.9) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.74 G 0.12 C 0.12 C Shift Assignments>> C :: 174.50 CA :: 53.50 CB :: 43.00 CG :: 180.34 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 :: 8.12 HA :: 5.05 HB2 :: 2.55 HB3 :: 2.69 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 :: 128.90 Ave N Shift Values>> N :: 120.65(3.86) 1.G23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.06 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> C :: 172.31 CA :: 43.30 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.40 HA2 :: 4.95 HA3 :: 5.13(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.20 Ave N Shift Values>> N :: 109.67(3.87) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.2 D 0.2 G 0.08 C 0.04 K 0.04 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 176.58 CA :: 52.99 CB :: 43.20 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.01 HA :: 5.04 HB2 :: 2.70 HB3 :: 2.42 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.20 Ave N Shift Values>> N :: 120.65(3.86) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.H172 1.H172 C Shift Assignments>> C :: 175.00 CA :: 60.30 CB :: 34.10 CG1 :: 21.40 CG2 :: 22.10 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 :: 8.60 HA :: 4.64 HB :: 1.71 HG11 :: 0.52 HG12 :: 0.52 HG13 :: 0.52 HG21 :: 0.71 HG22 :: 0.71 HG23 :: 0.71 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 :: 124.70 Ave N Shift Values>> N :: 121.14(4.54) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 N 0.22 E 0.18 M 0.15 Y 0.06 K 0.04 F 0.03 Q 0.02 C Shift Assignments>> C :: 173.93 CA :: 53.97 CB :: 36.20 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 :: 9.00 HA :: 4.38 HB3 :: 2.32 HD21 :: 7.02 HD22 :: 7.44 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 :: 128.10 ND2 :: 111.90 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.58 CA :: 45.20 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.08 HA2 :: 3.75 HA3 :: 4.05 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.10 Ave N Shift Values>> N :: 109.67(3.87) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.37 C 0.22 HN Overlap>> 1.N147 1.N147 C Shift Assignments>> C :: 175.20 CA :: 54.80 CB :: 29.45 CD2 :: 120.40 CE1 :: 138.70 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.03 HA :: 4.60 HB2 :: 3.33 HB3 :: 2.91 HD1 :: 10.60 HD2 :: 6.91 HE1 :: 7.83 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.13 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.38 R 0.06 HN Overlap>> 1.N152 1.N152 C Shift Assignments>> C :: 177.24 CA :: 55.00 CB :: 34.80 CG :: 25.10 CD :: 28.90 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 :: 8.62 HA :: 5.04 HB2 :: 1.87 HB3 :: 1.72 HG2 :: 1.49 HG3 :: 1.42 HD2 :: 1.76 HD3 :: 1.60 HE2 :: 2.45 HE3 :: 2.45 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 :: 126.95 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 F 0.46 G 0.02 HN Overlap>> 1.Y148 1.Y148 C Shift Assignments>> C :: 172.62 CA :: 55.20 CB :: 41.80 CD1 :: 133.30 CD2 :: 133.30 CE1 :: 129.70 CE2 :: 129.50 CZ :: 131.20 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 :: 8.34 HA :: 5.12 HB2 :: 3.03 HB3 :: 2.94 HD1 :: 6.71 HD2 :: 6.71 HE1 :: 6.67 HE2 :: 6.67 HZ :: 7.11 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.30 Ave N Shift Values>> N :: 120.45(4.18) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F168 1.F168 1.N149 1.N149 C Shift Assignments>> C :: 173.10 CA :: 56.95 CB :: 65.40 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.78 HA :: 5.43 HB2 :: 3.97 HB3 :: 3.62 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 :: 115.50 Ave N Shift Values>> N :: 116.28(3.52) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.14 C Shift Assignments>> C :: 174.43 CA :: 59.60 CB :: 36.90 CG1 :: 22.50 CG2 :: 22.10 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 :: 9.10 HA :: 5.43 HB :: 1.96 HG11 :: 1.27 HG12 :: 1.27 HG13 :: 1.27 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 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 :: 124.34 Ave N Shift Values>> N :: 121.14(4.54) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K217 1.K217 1.K165 1.K165 C Shift Assignments>> C :: 174.20 CA :: 56.00 CB :: 65.40 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.03 HA :: 5.65 HB2 :: 3.63 HB3 :: 3.96 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 :: 123.20 Ave N Shift Values>> N :: 116.28(3.52) 1.G34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 171.49 CA :: 45.45 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.76 HA2 :: 5.27(S) HA3 :: 3.38 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.40 Ave N Shift Values>> N :: 109.67(3.87) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.39 E 0.08 Q 0.03 C Shift Assignments>> C :: 175.56 CA :: 53.80 CB :: 33.40 CG :: 35.40 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.87 HA :: 5.17 HB2 :: 1.99 HB3 :: 2.12 HG2 :: 2.20 HG3 :: 2.20 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.95 Ave N Shift Values>> N :: 120.67(3.48) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.27 CA :: 45.70 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.91 HA2 :: 4.85 HA3 :: 3.96 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.10 Ave N Shift Values>> N :: 109.67(3.87) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.36 Q 0.04 E 0.03 HN Overlap>> 1.A230 1.A230 C Shift Assignments>> C :: 174.11 CA :: 54.40 CB :: 33.97 CG :: 34.50 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 :: 8.70 HA :: 5.10 HB2 :: 1.89 HB3 :: 1.92 HG2 :: 1.98 HG3 :: 1.98 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 :: 122.70 Ave N Shift Values>> N :: 120.67(3.48) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.17 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.60 CA :: 43.80 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.79 HA2 :: 4.58 HA3 :: 3.72 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.17 Ave N Shift Values>> N :: 109.67(3.87) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.27 R 0.12 G 0.1 N 0.05 C 0.05 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 177.75 CA :: 51.40 CB :: 42.75 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.00 HA :: 5.29 HB2 :: 2.53 HB3 :: 2.72 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 :: 123.50 Ave N Shift Values>> N :: 120.65(3.86) 1.A40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.81 M 0.1 C 0.04 L 0.03 C Shift Assignments>> C :: 179.00 CA :: 53.70 CB :: 19.90 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.70(S) HA :: 4.37 HB1 :: 1.67 HB2 :: 1.67 HB3 :: 1.67 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.80 Ave N Shift Values>> N :: 123.23(3.54) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.19 CA :: 65.80 CB :: 69.60 CG2 :: 22.20 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.06 HA :: 3.90 HB :: 3.71 HG21 :: 0.55 HG22 :: 0.55 HG23 :: 0.55 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 :: 116.95 Ave N Shift Values>> N :: 115.42(4.75) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 175.70 CA :: 57.30 CB :: 39.70 CD1 :: 133.10 CD2 :: 133.10 CE1 :: 118.10 CE2 :: 118.10 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 :: 6.96 HA :: 4.66 HB2 :: 2.80 HB3 :: 2.56 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 6.73 HE2 :: 6.73 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 :: 116.80 Ave N Shift Values>> N :: 120.52(4.2) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 HN Overlap>> 1.G13 1.G13 C Shift Assignments>> CA :: 45.00 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.19 HA2 :: 3.86 HA3 :: 3.93 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.60 Ave N Shift Values>> N :: 109.67(3.87) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.38 R 0.05 C Shift Assignments>> CA :: 54.70 CB :: 35.15 CG :: 24.65 CD :: 28.80 CE :: 41.85 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 :: 7.85 HA :: 4.89 HB2 :: 1.92 HB3 :: 1.72 HG2 :: 1.23 HG3 :: 1.35 HD2 :: 1.42 HD3 :: 1.65 HE2 :: 2.81 HE3 :: 2.60 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.70 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.33 C 0.15 HN Overlap>> 1.D219 1.I101 1.N173 1.A182 1.D219 1.I101 1.N173 1.A182 1.F49 1.F49 C Shift Assignments>> C :: 175.42 CA :: 53.60 CB :: 45.70 CG :: 26.90 CD1 :: 24.80 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 :: 9.13 HA :: 4.70 HB2 :: 1.08 HB3 :: 1.36 HG :: 1.41 HD11 :: 0.32 HD12 :: 0.32 HD13 :: 0.32 HD21 :: 0.65 HD22 :: 0.65 HD23 :: 0.65 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 :: 126.20 Ave N Shift Values>> N :: 121.86(3.9) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> CA :: 59.70 CB :: 69.90 CG2 :: 21.45 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.98 HA :: 4.93 HB :: 3.96 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 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 :: 115.50 Ave N Shift Values>> N :: 115.42(4.75) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 L 0.12 G 0.1 A 0.02 C Shift Assignments>> C :: 173.77 CA :: 53.70 CB :: 48.10 CG :: 27.70 CD1 :: 24.70 CD2 :: 24.70 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>> HA :: 4.72 HB2 :: 0.84 HB3 :: 1.26 HG :: 1.02 HD11 :: 0.32 HD12 :: 0.32 HD13 :: 0.32 HD21 :: 0.67 HD22 :: 0.67 HD23 :: 0.67 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) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.37 R 0.07 HN Overlap>> 1.L67 1.L67 C Shift Assignments>> C :: 174.76 CA :: 54.60 CB :: 35.20 CG :: 24.90 CD :: 28.90 CE :: 41.80 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 :: 7.61 HA :: 4.90 HB2 :: 1.71 HB3 :: 1.60 HG2 :: 1.42 HG3 :: 1.51 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.03 HE3 :: 2.96 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.95 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.8 C 0.17 G 0.01 HN Overlap>> 1.N173 1.L45 1.N173 1.L45 C Shift Assignments>> C :: 174.56 CA :: 55.40 CB :: 42.00 CD1 :: 131.40 CD2 :: 131.40 CE1 :: 131.30 CE2 :: 131.30 CZ :: 129.60 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 :: 9.14 HA :: 5.50 HB2 :: 2.44 HB3 :: 2.97 HD1 :: 7.12 HD2 :: 7.12 HE1 :: 6.95 HE2 :: 6.95 HZ :: 6.67 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 :: 126.10 Ave N Shift Values>> N :: 120.45(4.18) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 A 0.01 C Shift Assignments>> C :: 176.20 CA :: 58.70 CB :: 41.60 CG1 :: 26.70 CG2 :: 17.80 CD1 :: 13.00 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.46 HA :: 4.99 HB :: 1.88 HG12 :: 1.17 HG13 :: 1.53 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 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 :: 118.40 Ave N Shift Values>> N :: 121.46(4.28) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 C 0.13 K 0.13 Q 0.12 H 0.12 R 0.1 I 0.03 M 0.03 C Shift Assignments>> C :: 175.60 CA :: 57.90 CB :: 29.40 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.89 HA :: 5.38 HB2 :: 3.26 HB3 :: 2.72 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.70 Ave N Shift Values>> N :: 120.17(4.64) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.16 S 0.01 C Shift Assignments>> C :: 176.04 CA :: 62.80 CB :: 67.30 CG2 :: 22.20 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 :: 8.43 HA :: 4.34 HB :: 4.52 HG21 :: 1.32 HG22 :: 1.32 HG23 :: 1.32 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 :: 121.90 Ave N Shift Values>> N :: 115.42(4.75) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> C :: 174.12 CA :: 60.70 CB :: 68.60 CG2 :: 22.30 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.95 HA :: 4.46 HB :: 4.71 HG21 :: 1.25 HG22 :: 1.25 HG23 :: 1.25 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.80 Ave N Shift Values>> N :: 115.42(4.75) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.38 CA :: 44.90 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.28 HA2 :: 3.52 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 :: 111.30 Ave N Shift Values>> N :: 109.67(3.87) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.24 A 0.14 R 0.05 G 0.01 HN Overlap>> 1.F103 1.F103 1.D120 1.D120 C Shift Assignments>> C :: 177.75 CA :: 54.50 CB :: 32.90 CG :: 22.40 CD :: 29.80 CE :: 41.90 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 :: 8.47 HA :: 4.51 HB2 :: 1.50 HB3 :: 1.61 HG2 :: 1.25 HG3 :: 1.33 HD2 :: 1.76 HD3 :: 1.54 HE2 :: 3.02 HE3 :: 2.55 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 :: 127.10 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.79 C 0.14 A 0.03 C Shift Assignments>> CA :: 52.70 CB :: 41.90 CG :: 26.90 CD1 :: 24.60 CD2 :: 23.60 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.44 HA :: 3.97 HB2 :: 1.60 HB3 :: 1.32 HG :: 0.46 HD11 :: -0.26(S) HD12 :: -0.26(S) HD13 :: -0.26(S) HD21 :: -1.08(S) HD22 :: -1.08(S) HD23 :: -1.08(S) 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 :: 133.80 Ave N Shift Values>> N :: 121.86(3.9) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 174.96 CA :: 63.40 CB :: 31.90 CG :: 28.80 CD :: 49.40 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 :: 4.33 HB2 :: 1.86 HB3 :: 2.26 HG2 :: 2.02 HG3 :: 1.65 HD2 :: 3.60 HD3 :: 3.60 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.V58 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 A 0.14 C Shift Assignments>> CA :: 56.00 CB :: 31.30 CG1 :: 21.60 CG2 :: 15.30(S) 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 :: 6.04(S) HA :: 3.85 HB :: 1.29 HG11 :: 0.23 HG12 :: 0.23 HG13 :: 0.23 HG21 :: -0.24(S) HG22 :: -0.24(S) HG23 :: -0.24(S) 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 :: 107.80 Ave N Shift Values>> N :: 121.14(4.54) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> CA :: 62.20 CB :: 33.20 CG :: 27.30 CD :: 50.50 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 :: 4.46 HB2 :: 1.66 HB3 :: 2.04 HG2 :: 1.91 HG3 :: 1.72 HD2 :: 3.26 HD3 :: 3.86 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.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 C 0.39 C Shift Assignments>> CA :: 61.70 CB :: 28.30 CD1 :: 127.14 CE3 :: 120.30 CZ2 :: 114.60 CZ3 :: 121.80 CH2 :: 123.10 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.47 HA :: 3.96 HB2 :: 2.30 HB3 :: 2.52 HD1 :: 7.47 HE1 :: 10.18 HE3 :: 6.93 HZ2 :: 7.04 HZ3 :: 6.63 HH2 :: 6.74 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 :: 128.20 NE1 :: 133.20 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 180.04 CA :: 65.40 CB :: 32.00 CG :: 27.20 CD :: 49.40 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.47 HB2 :: 1.86 HB3 :: 2.22 HG2 :: 2.00 HG3 :: 1.90 HD2 :: 3.58 HD3 :: 3.64 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.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 174.58 CA :: 64.00 CB :: 69.40 CG2 :: 23.35 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.65 HA :: 4.16 HB :: 4.32 HG21 :: 0.76 HG22 :: 0.76 HG23 :: 0.76 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 :: 104.50 Ave N Shift Values>> N :: 115.42(4.75) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.18 G 0.03 R 0.01 C Shift Assignments>> C :: 176.98 CA :: 53.70 CB :: 42.60 CG :: 26.70 CD1 :: 24.70 CD2 :: 24.40 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.86 HA :: 4.44 HB2 :: 1.24 HB3 :: 1.50 HG :: 1.33 HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 HD21 :: 0.81 HD22 :: 0.81 HD23 :: 0.81 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.10 Ave N Shift Values>> N :: 121.86(3.9) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 175.86 CA :: 67.80 CB :: 31.60 CG1 :: 22.30 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 :: 6.91 HA :: 2.98 HB :: 1.71 HG11 :: 0.41 HG12 :: 0.41 HG13 :: 0.41 HG21 :: 0.75 HG22 :: 0.75 HG23 :: 0.75 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 :: 121.70 Ave N Shift Values>> N :: 121.14(4.54) 1.T65 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 :: 177.58 CA :: 62.70 CB :: 68.50 CG2 :: 21.60 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 :: 8.13 HA :: 4.39 HB :: 4.35 HG21 :: 0.75 HG22 :: 0.75 HG23 :: 0.75 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 :: 107.30 Ave N Shift Values>> N :: 115.42(4.75) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.43 CA :: 66.20 CB :: 69.90 CG2 :: 21.20 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.47 HA :: 4.30 HB :: 3.95 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 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 :: 120.91 Ave N Shift Values>> N :: 115.42(4.75) 1.L67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.61 C 0.35 R 0.01 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> CA :: 56.80 CB :: 41.80 CG :: 26.80 CD1 :: 24.80 CD2 :: 24.30 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 :: 7.71 HA :: 4.61 HB2 :: 1.17 HB3 :: 1.31 HG :: 1.16 HD11 :: -0.18(S) HD12 :: -0.18(S) HD13 :: -0.18(S) 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 :: 119.93 Ave N Shift Values>> N :: 121.86(3.9) 1.CRO68 Overall Status: Residue type CRO not supported. 1.CRO69 Overall Status: Residue type CRO not supported. 1.CRO70 Overall Status: Residue type CRO not supported. 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.T121 1.T121 C Shift Assignments>> C :: 175.80 CA :: 61.60 CB :: 32.60 CG1 :: 21.12 CG2 :: 22.90 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.60 HA :: 4.11 HB :: 2.00 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 HG21 :: 0.76 HG22 :: 0.76 HG23 :: 0.76 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 :: 116.10 Ave N Shift Values>> N :: 121.14(4.54) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 C 0.27 Q 0.27 R 0.05 M 0.05 E 0.04 C Shift Assignments>> C :: 176.10 CA :: 57.50 CB :: 29.05 CG :: 33.40 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 :: 8.26 HA :: 4.02 HB2 :: 1.99 HB3 :: 1.78 HG2 :: 2.10 HG3 :: 2.24 HE21 :: 7.04 HE22 :: 7.46 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.60 NE2 :: 111.90 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 R 0.13 C 0.12 H 0.11 W 0.11 E 0.09 L 0.07 I 0.02 M 0.01 HN Overlap>> 1.K161 1.K161 C Shift Assignments>> C :: 172.35 CA :: 56.50 CB :: 28.20 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.16 HA :: 4.60 HB2 :: 2.02 HB3 :: 2.12 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.80 Ave N Shift Values>> N :: 120.17(4.64) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> CA :: 60.10 CB :: 38.10 CD1 :: 132.40 CD2 :: 132.40 CE1 :: 130.00 CE2 :: 130.00 CZ :: 129.00 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 :: 7.42 HA :: 4.54 HB2 :: 3.31 HB3 :: 2.51 HD1 :: 7.32 HD2 :: 7.32 HE1 :: 6.53 HE2 :: 6.53 HZ :: 7.06 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 :: 117.80 Ave N Shift Values>> N :: 120.45(4.18) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.40 CB :: 63.76 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.88 HA :: 4.68 HB2 :: 3.70 HB3 :: 3.86 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.70 Ave N Shift Values>> N :: 116.28(3.52) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.29 R 0.19 G 0.01 HN Overlap>> 1.V123 1.V123 C Shift Assignments>> C :: 175.80 CA :: 55.00 CB :: 29.50 CG :: 29.50 CD :: 42.20 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 :: 8.84 HA :: 4.68 HB2 :: 1.55 HB3 :: 1.74 HG2 :: 1.71 HG3 :: 1.57 HD2 :: 2.95 HD3 :: 2.81 HE :: 7.47 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 :: 126.10 NE :: 85.00 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.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 C Shift Assignments>> C :: 174.20 CA :: 54.70 CB :: 36.60 CD1 :: 133.20 CD2 :: 133.20 CE1 :: 118.20 CE2 :: 118.20 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 :: 9.15 HA :: 4.65 HB2 :: 3.06 HB3 :: 2.85 HD1 :: 6.69 HD2 :: 6.69 HE1 :: 6.74 HE2 :: 6.74 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 :: 133.30 Ave N Shift Values>> N :: 120.52(4.2) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.67 P 0.32 C Shift Assignments>> C :: 175.80 CA :: 60.70 CB :: 32.50 CG :: 28.20 CD :: 50.00 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 :: 4.85 HB2 :: 1.86 HB3 :: 2.42 HG2 :: 2.13 HG3 :: 1.60 HD2 :: 3.87 HD3 :: 3.85 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.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.16 K 0.14 D 0.13 C 0.09 I 0.03 N 0.01 R 0.01 C Shift Assignments>> CA :: 57.10 CB :: 41.00 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 :: 8.28 HA :: 4.40 HB2 :: 2.70 HB3 :: 2.60 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.30 Ave N Shift Values>> N :: 120.65(3.86) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.34 C 0.29 C Shift Assignments>> C :: 175.28 CA :: 57.30 CB :: 29.40 CD2 :: 120.10 CE1 :: 138.70 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.61 HB2 :: 3.35 HB3 :: 2.94 HD1 :: 11.66 HD2 :: 6.91 HE1 :: 7.13 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> ND1 :: 167.70 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.29 A 0.15 C Shift Assignments>> C :: 176.12 CA :: 54.36 CB :: 33.30 CG :: 32.10 CE :: 16.20 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 :: 8.00 HA :: 4.51 HB2 :: 1.68 HB3 :: 1.91 HG2 :: 2.31 HG3 :: 2.31 HE1 :: 1.51 HE2 :: 1.51 HE3 :: 1.51 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 :: 117.70 Ave N Shift Values>> N :: 120.09(3.57) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.34 R 0.12 G 0.02 C Shift Assignments>> C :: 178.25 CA :: 59.80 CB :: 32.70 CG :: 25.40 CE :: 42.60 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 :: 7.18 HA :: 3.70 HB2 :: 1.62 HB3 :: 1.78 HG2 :: 1.61 HG3 :: 1.57 HE2 :: 2.99 HE3 :: 3.19 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.40 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.31 K 0.17 Q 0.13 M 0.01 C Shift Assignments>> C :: 173.67 CA :: 56.45 CB :: 26.70 CG :: 32.40 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.05 HA :: 4.02 HB2 :: 1.70 HB3 :: 1.71 HG2 :: 1.88 HG3 :: 1.97 HE21 :: 6.65 HE22 :: 7.38 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.99 NE2 :: 112.60 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 C 0.36 W 0.18 C Shift Assignments>> C :: 173.93 CA :: 54.50 CB :: 30.70 CD2 :: 117.00 CE1 :: 139.70 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.57 HA :: 4.33 HB2 :: 2.43 HB3 :: 2.70 HD1 :: 11.66 HD2 :: 6.48 HE1 :: 7.70 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.25 ND1 :: 167.80 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.12 D 0.06 Y 0.03 F 0.02 M 0.01 E 0.01 L 0.01 C Shift Assignments>> C :: 175.20 CA :: 51.40 CB :: 37.70 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 :: 6.43 HA :: 3.84 HB2 :: 2.38 HB3 :: 2.48 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 :: 119.45 Ave N Shift Values>> N :: 120.65(3.86) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 F 0.44 C Shift Assignments>> C :: 177.60 CA :: 59.80 CB :: 41.40 CD1 :: 133.20 CD2 :: 133.20 CE1 :: 133.00 CE2 :: 133.00 CZ :: 128.70 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 :: 8.22 HA :: 4.09 HB2 :: 3.12 HB3 :: 3.01 HD1 :: 6.70 HD2 :: 6.70 HE1 :: 6.92 HE2 :: 6.92 HZ :: 6.14 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 :: 126.90 Ave N Shift Values>> N :: 120.45(4.18) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.3 F 0.09 C Shift Assignments>> C :: 177.70 CA :: 59.20 CB :: 39.40 CD1 :: 133.20 CD2 :: 133.20 CE1 :: 133.30 CE2 :: 133.30 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 :: 6.75 HA :: 3.84 HB2 :: 2.86 HB3 :: 3.11 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 6.72 HE2 :: 6.72 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 :: 113.60 Ave N Shift Values>> N :: 120.45(4.18) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.34 R 0.2 G 0.02 C Shift Assignments>> C :: 179.08 CA :: 59.10 CB :: 31.90 CG :: 25.20 CD :: 28.90 CE :: 42.80 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 :: 7.18 HA :: 3.93 HB2 :: 1.90 HB3 :: 1.85 HG2 :: 1.51 HG3 :: 1.41 HD2 :: 1.43 HD3 :: 1.73 HE2 :: 3.00 HE3 :: 2.93 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.00 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.38 CA :: 59.90 CB :: 63.70 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.87 HA :: 4.22 HB2 :: 3.72 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 :: 115.50 Ave N Shift Values>> N :: 116.28(3.52) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 176.68 CA :: 51.50 CB :: 18.90 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.63 HA :: 4.19 HB1 :: 1.21 HB2 :: 1.21 HB3 :: 1.21 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.90 Ave N Shift Values>> N :: 123.23(3.54) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 C 0.24 M 0.1 C Shift Assignments>> C :: 174.36 CA :: 52.15 CB :: 29.20 CG :: 33.95 CE :: 16.90 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.48 HA :: 4.68 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.40 HG3 :: 2.40 HE1 :: 2.11 HE2 :: 2.11 HE3 :: 2.11 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 :: 117.60 Ave N Shift Values>> N :: 120.09(3.57) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.88 CA :: 63.30 CB :: 32.40 CG :: 26.50 CD :: 50.80 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 :: 4.32 HB2 :: 2.23 HB3 :: 1.89 HG2 :: 1.90 HG3 :: 2.10 HD2 :: 3.85 HD3 :: 3.24 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.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 E 0.19 C Shift Assignments>> C :: 177.40 CA :: 61.10 CB :: 28.70 CG :: 37.70 CD :: 184.38 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 :: 9.53 HA :: 3.96 HB2 :: 1.91 HB3 :: 1.70 HG2 :: 2.51 HG3 :: 2.37 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.40 Ave N Shift Values>> N :: 120.67(3.48) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.62 CA :: 44.86 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.53 HA2 :: 3.76 HA3 :: 3.84 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.60 Ave N Shift Values>> N :: 109.67(3.87) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.79 C 0.2 C Shift Assignments>> C :: 173.30 CA :: 54.46 CB :: 41.70 CD1 :: 133.00 CD2 :: 133.00 CE1 :: 118.25 CE2 :: 118.25 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 :: 8.62 HA :: 5.55 HB2 :: 2.78 HB3 :: 2.96 HD1 :: 6.92 HD2 :: 6.92 HE1 :: 6.72 HE2 :: 6.72 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 :: 112.30 Ave N Shift Values>> N :: 120.52(4.2) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.80 CA :: 60.60 CB :: 33.10 CG1 :: 21.80 CG2 :: 21.60 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 :: 9.46 HA :: 5.08 HB :: 2.17 HG11 :: 1.07 HG12 :: 1.07 HG13 :: 1.07 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 :: 121.90 Ave N Shift Values>> N :: 121.14(4.54) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.37 Q 0.09 E 0.02 C Shift Assignments>> C :: 175.45 CA :: 54.50 CB :: 33.10 CG :: 33.80 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.52 HA :: 5.36 HB2 :: 1.97 HB3 :: 2.16 HG2 :: 2.38 HG3 :: 2.40 HE21 :: 7.05 HE22 :: 7.34 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 :: 129.60 NE2 :: 112.35 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.7 E 0.28 C Shift Assignments>> C :: 175.94 CA :: 54.50 CB :: 33.30 CG :: 36.30 CD :: 183.50 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 :: 9.49 HA :: 5.35 HB2 :: 2.28 HB3 :: 2.13 HG2 :: 2.30 HG3 :: 2.23 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 :: 133.34(S) Ave N Shift Values>> N :: 120.67(3.48) 1.R99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.48 C 0.45 R 0.05 C Shift Assignments>> C :: 177.76 CA :: 55.50 CB :: 34.90 CG :: 28.30 CD :: 41.90 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 :: 8.68 HA :: 5.92(S) HB2 :: 1.72 HB3 :: 1.62 HG2 :: 1.55 HG3 :: 1.37 HD2 :: 3.32 HD3 :: 2.96 HE :: 7.84 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.00 NE :: 86.00 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.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.79 CA :: 62.74 CB :: 69.20 CG2 :: 22.40 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 :: 8.28 HA :: 4.81 HB :: 3.73 HG21 :: 0.55 HG22 :: 0.55 HG23 :: 0.55 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 :: 115.80 Ave N Shift Values>> N :: 115.42(4.75) 1.I101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 I 0.47 HN Overlap>> 1.D219 1.D219 1.A182 1.L45 1.A182 1.L45 C Shift Assignments>> C :: 174.87 CA :: 58.80 CB :: 41.30 CG1 :: 26.50 CG2 :: 17.40 CD1 :: 12.20 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 :: 9.13 HA :: 4.30 HB :: 1.33 HG12 :: 0.99 HG13 :: 0.56 HG21 :: -0.65(S) HG22 :: -0.65(S) HG23 :: -0.65(S) HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 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 :: 126.30 Ave N Shift Values>> N :: 121.46(4.28) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 176.80 CA :: 56.40 CB :: 40.40 CD1 :: 131.40 CD2 :: 131.40 CE1 :: 131.40 CE2 :: 131.40 CZ :: 130.90 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 :: 8.77 HA :: 4.61 HB2 :: 2.82 HB3 :: 3.11 HD1 :: 7.12 HD2 :: 7.12 HE1 :: 6.95 HE2 :: 6.95 HZ :: 7.13 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 :: 125.70 Ave N Shift Values>> N :: 120.45(4.18) 1.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.24 HN Overlap>> 1.K55 1.D120 1.K55 1.D120 C Shift Assignments>> C :: 175.10 CA :: 57.70 CB :: 41.80 CD1 :: 131.51 CD2 :: 131.51 CE1 :: 131.80 CE2 :: 131.80 CZ :: 128.10 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 :: 8.56 HA :: 4.73 HB2 :: 2.91 HB3 :: 2.96 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 7.24 HE2 :: 7.24 HZ :: 7.47 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.05 Ave N Shift Values>> N :: 120.45(4.18) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.42 R 0.14 C Shift Assignments>> C :: 177.31 CA :: 57.90 CB :: 32.50 CG :: 25.20 CD :: 28.40 CE :: 41.80 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 :: 7.83 HA :: 4.14 HB2 :: 1.86 HB3 :: 1.99 HG2 :: 1.62 HG3 :: 1.56 HD2 :: 1.61 HD3 :: 1.50 HE2 :: 2.95 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 :: 128.70 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.19 Y 0.18 N 0.14 C 0.11 L 0.11 I 0.02 C Shift Assignments>> C :: 174.32 CA :: 55.60 CB :: 39.60 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.25 HA :: 4.32 HB2 :: 2.91 HB3 :: 3.02 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 :: 122.90 Ave N Shift Values>> N :: 120.65(3.86) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 K 0.11 N 0.08 R 0.05 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 177.07 CA :: 53.10 CB :: 41.90 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 :: 8.57 HA :: 4.80 HB2 :: 2.68 HB3 :: 2.94 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 :: 124.00 Ave N Shift Values>> N :: 120.65(3.86) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.92 CA :: 43.70 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.59 HA2 :: 3.63 HA3 :: 3.73 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.10 Ave N Shift Values>> N :: 109.67(3.87) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.14 C 0.06 K 0.05 R 0.04 G 0.03 F 0.03 Y 0.01 C Shift Assignments>> C :: 175.25 CA :: 50.80 CB :: 42.00 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 :: 7.72 HA :: 5.75 HB2 :: 2.50 HB3 :: 2.91 HD21 :: 6.31 HD22 :: 7.56 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 :: 111.60 ND2 :: 115.20 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 C Shift Assignments>> C :: 175.19 CA :: 52.00 CB :: 40.00 CD1 :: 133.20 CD2 :: 133.20 CE1 :: 118.80 CE2 :: 118.80 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 :: 9.05 HA :: 5.86 HB2 :: 3.04 HB3 :: 2.64 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 :: 117.10 Ave N Shift Values>> N :: 120.52(4.2) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 G 0.03 HN Overlap>> 1.V227 1.V227 C Shift Assignments>> C :: 177.26 CA :: 55.30 CB :: 35.10 CG :: 25.00 CD :: 29.00 CE :: 42.80 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 :: 9.23 HA :: 5.26 HB2 :: 1.92 HB3 :: 1.79 HG2 :: 1.41 HG3 :: 1.51 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.26 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 :: 123.30 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.28 C Shift Assignments>> C :: 173.81 CA :: 58.73 CB :: 70.90 CG2 :: 21.80 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.23 HA :: 5.56 HB :: 4.06 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 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 :: 115.80 Ave N Shift Values>> N :: 115.42(4.75) 1.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.33 R 0.25 HN Overlap>> 1.M156 1.T206 1.R171 1.M156 1.T206 1.R171 1.I155 1.I155 C Shift Assignments>> C :: 173.45 CA :: 56.20 CB :: 32.90 CG :: 27.35 CD :: 42.02 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 :: 8.61 HA :: 4.82 HB2 :: 1.75 HB3 :: 1.79 HG2 :: 1.66 HG3 :: 1.76 HD2 :: 3.03 HD3 :: 3.03 HE :: 7.15 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 :: 124.30 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.77 C 0.08 L 0.07 G 0.02 K 0.01 C Shift Assignments>> C :: 176.37 CA :: 49.28 CB :: 25.20(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.95 HA :: 5.87(S) HB1 :: 1.60 HB2 :: 1.60 HB3 :: 1.60 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.90 Ave N Shift Values>> N :: 123.23(3.54) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.27 K 0.16 Q 0.15 M 0.03 I 0.01 C Shift Assignments>> C :: 174.60 CA :: 55.17 CB :: 29.20 CG :: 35.70 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 :: 8.44 HA :: 4.96 HB2 :: 1.73 HB3 :: 1.91 HG2 :: 2.25 HG3 :: 2.18 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.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 174.62 CA :: 59.90 CB :: 29.70 CG1 :: 21.60 CG2 :: 21.50 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 :: 8.56 HA :: 5.14 HB :: 1.56 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 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 :: 126.30 Ave N Shift Values>> N :: 121.14(4.54) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.24 R 0.16 A 0.13 HN Overlap>> 1.T233 1.T233 C Shift Assignments>> C :: 174.50 CA :: 54.30 CB :: 32.10 CG :: 22.40 CD :: 29.00 CE :: 41.80 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 :: 8.54 HA :: 4.45 HB2 :: 2.00 HB3 :: 1.93 HG2 :: 1.35 HG3 :: 1.33 HD2 :: 1.76 HD3 :: 1.75 HE2 :: 3.03 HE3 :: 3.03 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.90 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 C 0.49 G 0.01 C Shift Assignments>> C :: 177.35 CA :: 58.70 CB :: 41.80 CD1 :: 133.20 CD2 :: 133.20 CE1 :: 129.70 CE2 :: 129.70 CZ :: 127.20 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 :: 7.54 HA :: 4.98 HB2 :: 2.96 HB3 :: 3.03 HD1 :: 7.17 HD2 :: 7.17 HE1 :: 6.67 HE2 :: 6.67 HZ :: 6.45 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 :: 118.60 Ave N Shift Values>> N :: 120.45(4.18) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.27 K 0.14 Q 0.13 M 0.05 I 0.01 C Shift Assignments>> C :: 176.87 CA :: 55.10 CB :: 29.50 CG :: 35.80 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 :: 9.15 HA :: 4.48 HB2 :: 1.87 HB3 :: 2.00 HG2 :: 2.18 HG3 :: 2.20 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 :: 125.30 Ave N Shift Values>> N :: 120.67(3.48) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.51 CA :: 46.60 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.84 HA2 :: 3.62 HA3 :: 4.04 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.95 Ave N Shift Values>> N :: 109.67(3.87) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 K 0.11 N 0.11 F 0.07 Y 0.05 C 0.05 R 0.02 HN Overlap>> 1.F103 1.K55 1.F103 1.K55 1.Y146 1.Y146 C Shift Assignments>> C :: 175.42 CA :: 53.70 CB :: 41.40 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 :: 8.50 HA :: 4.71 HB2 :: 2.82 HB3 :: 2.68 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 :: 127.10 Ave N Shift Values>> N :: 120.65(3.86) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 171.38 CA :: 61.50 CB :: 70.60 CG2 :: 21.50 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.60 HA :: 4.36 HB :: 3.98 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 :: 116.10 Ave N Shift Values>> N :: 115.42(4.75) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 C 0.11 G 0.06 R 0.01 C Shift Assignments>> C :: 174.58 CA :: 51.90 CB :: 42.80 CG :: 26.70 CD1 :: 24.80 CD2 :: 24.70 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 :: 8.50 HA :: 3.79 HB2 :: 1.89 HB3 :: 1.88 HG :: 1.33 HD11 :: 0.66 HD12 :: 0.66 HD13 :: 0.66 HD21 :: 0.33 HD22 :: 0.33 HD23 :: 0.33 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 :: 131.70 Ave N Shift Values>> N :: 121.86(3.9) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 HN Overlap>> 1.R76 1.R76 C Shift Assignments>> C :: 174.23 CA :: 59.50 CB :: 34.30 CG1 :: 21.50 CG2 :: 21.30 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 :: 8.85 HA :: 5.30 HB :: 1.90 HG11 :: 0.77 HG12 :: 0.77 HG13 :: 0.77 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 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 :: 126.00 Ave N Shift Values>> N :: 121.14(4.54) 1.N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.57 N 0.35 C 0.06 C Shift Assignments>> C :: 174.10 CA :: 50.50 CB :: 41.20 CG :: 178.11 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 :: 8.37 HA :: 5.50 HB2 :: 2.92 HB3 :: 2.22 HD21 :: 7.27 HD22 :: 6.78 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 :: 123.40 ND2 :: 113.20 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.29 K 0.28 C Shift Assignments>> C :: 176.72 CA :: 55.40 CB :: 32.30 CG :: 27.10 CD :: 41.80 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.53 HA :: 5.26 HB2 :: 1.73 HB3 :: 1.81 HG2 :: 1.53 HG3 :: 1.67 HD2 :: 3.10 HD3 :: 2.94 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 :: 126.10 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.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.42 C Shift Assignments>> C :: 175.87 CA :: 60.80 CB :: 41.70 CG1 :: 26.80 CG2 :: 19.70 CD1 :: 12.70 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 :: 9.20 HA :: 4.84 HB :: 1.87 HG12 :: 1.52 HG13 :: 1.17 HG21 :: 0.80 HG22 :: 0.80 HG23 :: 0.80 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.70 Ave N Shift Values>> N :: 121.46(4.28) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.33 E 0.23 Q 0.02 C Shift Assignments>> C :: 174.55 CA :: 54.90 CB :: 32.40 CG :: 36.20 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 :: 8.85 HA :: 5.07 HB2 :: 2.02 HB3 :: 2.04 HG2 :: 2.18 HG3 :: 2.18 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 :: 127.90 Ave N Shift Values>> N :: 120.67(3.48) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.28 C 0.16 A 0.01 HN Overlap>> 1.Y146 1.Y146 C Shift Assignments>> C :: 174.66 CA :: 53.70 CB :: 45.70 CG :: 26.90 CD1 :: 24.20 CD2 :: 25.50 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 :: 8.52 HA :: 4.95 HB2 :: 1.25 HB3 :: 1.07 HG :: 1.17 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 HD21 :: 0.54 HD22 :: 0.54 HD23 :: 0.54 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 :: 127.30 Ave N Shift Values>> N :: 121.86(3.9) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.35 R 0.1 C Shift Assignments>> C :: 175.76 CA :: 54.10 CB :: 35.30 CG :: 25.10 CD :: 28.90 CE :: 41.90 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 :: 9.11 HA :: 5.29 HB2 :: 1.84 HB3 :: 1.71 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 1.72 HD3 :: 1.69 HE2 :: 2.93 HE3 :: 2.93 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 130.10 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.43 CA :: 45.10 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.33 HA2 :: 5.37(S) HA3 :: 4.98 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.10 Ave N Shift Values>> N :: 109.67(3.87) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.29 G 0.07 C Shift Assignments>> C :: 172.81 CA :: 59.10 CB :: 42.80 CG1 :: 25.60 CG2 :: 17.60 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 :: 8.92 HA :: 5.20 HB :: 1.88 HG12 :: 1.30 HG13 :: 1.37 HG21 :: 0.95 HG22 :: 0.95 HG23 :: 0.95 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 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 :: 125.50 Ave N Shift Values>> N :: 121.46(4.28) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.15 F 0.15 N 0.14 Y 0.13 C 0.08 K 0.02 I 0.01 C Shift Assignments>> C :: 175.65 CA :: 55.10 CB :: 40.20 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.48 HA :: 4.20 HB2 :: 2.79 HB3 :: 2.87 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 :: 115.60 Ave N Shift Values>> N :: 120.65(3.86) 1.F133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 177.91 CA :: 58.80 CB :: 39.80 CD1 :: 132.30 CD2 :: 132.30 CE1 :: 129.80 CE2 :: 129.80 CZ :: 127.10 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 :: 8.49 HA :: 4.52 HB2 :: 3.06 HB3 :: 2.84 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 6.70 HE2 :: 6.70 HZ :: 6.44 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 :: 116.10 Ave N Shift Values>> N :: 120.45(4.18) 1.K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.35 R 0.09 C Shift Assignments>> CA :: 55.20 CB :: 32.60 CG :: 25.10 CD :: 29.00 CE :: 41.70 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 :: 9.77 HA :: 4.32 HB2 :: 1.79 HB3 :: 1.84 HG2 :: 1.46 HG3 :: 1.57 HD2 :: 1.68 HD3 :: 1.72 HE2 :: 2.95 HE3 :: 2.95 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.45 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.16 K 0.1 Q 0.06 C Shift Assignments>> C :: 175.70 CA :: 59.20 CB :: 28.90 CG :: 35.95 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 :: 10.35(S) HA :: 3.83 HB2 :: 2.07 HB3 :: 1.99 HG2 :: 2.18 HG3 :: 2.31 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 130.70 Ave N Shift Values>> N :: 120.67(3.48) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.24 C 0.06 L 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.80 CA :: 51.80 CB :: 39.60 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 :: 8.18 HA :: 4.64 HB2 :: 2.56 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 :: 114.80 Ave N Shift Values>> N :: 120.65(3.86) 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.17 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.57 CA :: 43.80 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.08 HA2 :: 3.75 HA3 :: 4.41 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.30 Ave N Shift Values>> N :: 109.67(3.87) 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.16 Y 0.16 F 0.13 D 0.09 E 0.05 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 175.28 CA :: 55.00 CB :: 38.10 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 :: 9.14 HA :: 4.13 HB2 :: 2.85 HB3 :: 3.12 HD21 :: 6.30 HD22 :: 7.51 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 :: 115.30 ND2 :: 114.50 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I139 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 :: 176.50 CA :: 63.60 CB :: 35.50 CG1 :: 29.80 CG2 :: 18.20 CD1 :: 13.60 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 :: 7.03 HA :: 3.40 HB :: 1.82 HG12 :: 0.58 HG13 :: 0.75 HG21 :: 0.03 HG22 :: 0.03 HG23 :: 0.03 HD11 :: 0.40 HD12 :: 0.40 HD13 :: 0.40 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.90 Ave N Shift Values>> N :: 121.46(4.28) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.35 A 0.09 R 0.07 C Shift Assignments>> C :: 178.61 CA :: 55.90 CB :: 41.70 CG :: 27.10 CD1 :: 26.20 CD2 :: 21.60 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.88 HA :: 3.83 HB2 :: 1.87 HB3 :: 1.49 HG :: 1.36 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 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 :: 118.40 Ave N Shift Values>> N :: 121.86(3.9) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.23 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.08 CA :: 44.50 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.04 HA2 :: 4.22 HA3 :: 3.68 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.90 Ave N Shift Values>> N :: 109.67(3.87) 1.H142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 C 0.34 H 0.31 C Shift Assignments>> C :: 175.50 CA :: 57.60 CB :: 28.00 CD2 :: 118.80 CE1 :: 136.00 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.38 HA :: 3.75 HB2 :: 3.02 HB3 :: 3.42 HD1 :: 10.40 HD2 :: 6.78 HE1 :: 6.80 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.30 ND1 :: 166.00 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.34 R 0.08 C Shift Assignments>> C :: 175.80 CA :: 54.40 CB :: 33.70 CG :: 25.30 CD :: 28.20 CE :: 41.70 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 :: 7.85 HA :: 4.56 HB2 :: 1.87 HB3 :: 1.65 HG2 :: 1.62 HG3 :: 1.21 HD2 :: 1.62 HD3 :: 1.58 HE2 :: 2.79 HE3 :: 2.81 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 :: 115.70 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.34 R 0.16 C Shift Assignments>> CA :: 55.00 CB :: 41.90 CG :: 28.30 CD1 :: 24.50 CD2 :: 25.90 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.17 HA :: 4.68 HB2 :: 1.31 HB3 :: 1.51 HG :: 1.60 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 HD21 :: 0.45 HD22 :: 0.45 HD23 :: 0.45 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.90 Ave N Shift Values>> N :: 121.86(3.9) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.4 C 0.31 K 0.12 Q 0.08 I 0.03 M 0.03 C Shift Assignments>> C :: 175.91 CA :: 55.90 CB :: 29.20 CG :: 36.20 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>> HA :: 4.28 HB2 :: 2.05 HB3 :: 1.99 HG2 :: 2.32 HG3 :: 2.30 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) 1.Y146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 HN Overlap>> 1.D120 1.L128 1.D120 1.L128 C Shift Assignments>> C :: 175.60 CA :: 56.60 CB :: 38.10 CD1 :: 133.30 CD2 :: 133.30 CE1 :: 118.20 CE2 :: 118.20 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 :: 8.54 HA :: 4.64 HB2 :: 2.87 HB3 :: 2.80 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 6.59 HE2 :: 6.59 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.20 Ave N Shift Values>> N :: 120.52(4.2) 1.N147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.17 C 0.15 F 0.14 D 0.11 E 0.04 L 0.04 M 0.02 I 0.02 HN Overlap>> 1.H28 1.H28 C Shift Assignments>> CA :: 55.10 CB :: 38.30 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 :: 7.98 HA :: 4.87 HB2 :: 2.98 HB3 :: 3.31 HD21 :: 7.36 HD22 :: 6.63 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.20 ND2 :: 112.70 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.76 C 0.22 G 0.01 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 172.64 CA :: 55.20 CB :: 42.10 CD1 :: 133.00 CD2 :: 133.00 CE1 :: 118.70 CE2 :: 118.70 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 :: 8.34 HA :: 4.94 HB2 :: 2.55 HB3 :: 2.71 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 6.82 HE2 :: 6.82 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.40 Ave N Shift Values>> N :: 120.52(4.2) 1.N149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.16 K 0.06 G 0.05 C 0.04 N 0.04 F 0.03 Y 0.02 HN Overlap>> 1.F168 1.S31 1.F168 1.S31 C Shift Assignments>> CA :: 52.60 CB :: 42.80 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.78 HA :: 5.04 HB2 :: 2.72 HB3 :: 2.54 HD21 :: 7.32 HD22 :: 6.66 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 :: 115.40 ND2 :: 113.70 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.70 CA :: 57.20 CB :: 63.70 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.45 HB2 :: 3.70 HB3 :: 3.89 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.H151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.34 C 0.29 C Shift Assignments>> C :: 172.80 CA :: 55.70 CB :: 31.80 CD2 :: 120.40 CE1 :: 139.00 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.42 HA :: 5.07 HB2 :: 2.83 HB3 :: 2.94 HD1 :: 12.58 HD2 :: 6.91 HE1 :: 7.63 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.60 ND1 :: 168.20 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.28 L 0.09 C 0.06 F 0.06 Y 0.05 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> CA :: 52.60 CB :: 39.80 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.54 HA :: 5.45 HB2 :: 2.70 HB3 :: 2.70 HD21 :: 6.58 HD22 :: 7.43 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.90 ND2 :: 111.20 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 174.70 CA :: 60.90 CB :: 31.90 CG1 :: 21.60 CG2 :: 21.60 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>> HA :: 3.80 HB :: 1.36 HG11 :: 0.52 HG12 :: 0.52 HG13 :: 0.52 HG21 :: 0.33 HG22 :: 0.33 HG23 :: 0.33 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) 1.Y154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 174.74 CA :: 60.30 CB :: 38.30 CD1 :: 133.50 CD2 :: 133.50 CE1 :: 118.00 CE2 :: 118.00 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 :: 7.81 HA :: 4.23 HB2 :: 3.15 HB3 :: 3.00 HD1 :: 7.19 HD2 :: 7.19 HE1 :: 6.58 HE2 :: 6.58 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.10 Ave N Shift Values>> N :: 120.52(4.2) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 HN Overlap>> 1.M156 1.T206 1.R171 1.R112 1.M156 1.T206 1.R171 1.R112 C Shift Assignments>> C :: 174.70 CA :: 61.00 CB :: 41.90 CG1 :: 27.40 CG2 :: 18.10 CD1 :: 14.70 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 :: 8.63 HA :: 4.40 HB :: 1.58 HG12 :: 1.18 HG13 :: 1.42 HG21 :: 0.66 HG22 :: 0.66 HG23 :: 0.66 HD11 :: -0.04 HD12 :: -0.04 HD13 :: -0.04 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.30 Ave N Shift Values>> N :: 121.46(4.28) 1.M156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 C 0.32 M 0.21 I 0.01 HN Overlap>> 1.T206 1.R171 1.R112 1.I155 1.T206 1.R171 1.R112 1.I155 C Shift Assignments>> C :: 174.38 CA :: 53.60 CB :: 36.95 CG :: 30.70 CE :: 16.90 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 :: 8.63 HA :: 4.75 HB2 :: 2.03 HB3 :: 2.04 HG2 :: 2.42 HG3 :: 2.66 HE1 :: 2.10 HE2 :: 2.10 HE3 :: 2.10 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.20 Ave N Shift Values>> N :: 120.09(3.57) 1.A157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 C Shift Assignments>> C :: 176.86 CA :: 52.60 CB :: 19.50 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.24 HA :: 4.30 HB1 :: 1.57 HB2 :: 1.57 HB3 :: 1.57 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.20 Ave N Shift Values>> N :: 123.23(3.54) 1.D158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.27 L 0.16 C 0.05 F 0.05 Y 0.03 K 0.03 C Shift Assignments>> C :: 176.64 CA :: 52.00 CB :: 40.90 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 :: 8.77 HA :: 4.77 HB2 :: 2.04 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 :: 123.10 Ave N Shift Values>> N :: 120.65(3.86) 1.K159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 C Shift Assignments>> C :: 179.25 CA :: 59.00 CB :: 32.00 CG :: 25.30 CD :: 28.90 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 :: 8.80 HA :: 4.30 HB2 :: 1.90 HB3 :: 1.89 HG2 :: 1.62 HG3 :: 1.62 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 3.00 HE3 :: 3.03 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.30 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.24 E 0.07 R 0.07 I 0.01 M 0.01 HN Overlap>> 1.N162 1.E9 1.N162 1.E9 C Shift Assignments>> C :: 177.31 CA :: 57.80 CB :: 28.30 CG :: 34.00 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.86 HA :: 4.13 HB2 :: 2.10 HB3 :: 2.13 HG2 :: 2.41 HG3 :: 2.41 HE21 :: 7.35 HE22 :: 6.64 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.40 NE2 :: 112.60 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 C 0.39 HN Overlap>> 1.C73 1.C73 C Shift Assignments>> C :: 175.73 CA :: 54.48 CB :: 32.50 CG :: 25.00 CD :: 28.30 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 :: 7.15 HA :: 4.30 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 1.40 HG3 :: 1.23 HD2 :: 1.60 HD3 :: 1.60 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 :: 116.70 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.14 Y 0.09 D 0.08 F 0.07 E 0.04 M 0.03 L 0.02 HN Overlap>> 1.E9 1.Q160 1.E9 1.Q160 C Shift Assignments>> C :: 172.30 CA :: 53.65 CB :: 37.80 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.87 HA :: 4.25 HB2 :: 2.50 HB3 :: 3.30 HD21 :: 6.60 HD22 :: 7.46 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.40 ND2 :: 112.00 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.85 CA :: 44.60 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.16 HA2 :: 4.06 HA3 :: 3.97 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.40 Ave N Shift Values>> N :: 109.67(3.87) 1.I164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.18 A 0.04 G 0.02 C Shift Assignments>> C :: 174.43 CA :: 58.50 CB :: 42.10 CG1 :: 24.20 CG2 :: 17.90 CD1 :: 12.20 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 :: 7.61 HA :: 4.91 HB :: 1.55 HG12 :: 1.03 HG13 :: 0.83 HG21 :: 0.09 HG22 :: 0.09 HG23 :: 0.09 HD11 :: 0.34 HD12 :: 0.34 HD13 :: 0.34 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 :: 111.10 Ave N Shift Values>> N :: 121.46(4.28) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.37 R 0.1 HN Overlap>> 1.K217 1.S33 1.K217 1.S33 C Shift Assignments>> C :: 174.84 CA :: 54.70 CB :: 35.10 CG :: 25.00 CD :: 29.60 CE :: 41.80 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 :: 9.03 HA :: 5.08 HB2 :: 1.72 HB3 :: 1.84 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.43 HD3 :: 1.43 HE2 :: 2.90 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 :: 123.30 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 174.71 CA :: 59.30 CB :: 35.10 CG1 :: 21.50 CG2 :: 21.65 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 :: 8.81 HA :: 5.47 HB :: 1.83 HG11 :: 1.06 HG12 :: 1.06 HG13 :: 1.06 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 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 :: 124.96 Ave N Shift Values>> N :: 121.14(4.54) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.27 K 0.1 N 0.08 R 0.07 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.55 CA :: 52.60 CB :: 42.10 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 :: 8.91 HA :: 5.45 HB2 :: 2.52 HB3 :: 2.69 HD21 :: 7.31 HD22 :: 6.67 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 :: 125.20 ND2 :: 113.65 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 F 0.44 HN Overlap>> 1.S31 1.N149 1.S31 1.N149 C Shift Assignments>> C :: 172.47 CA :: 56.50 CB :: 39.30 CD1 :: 133.20 CD2 :: 133.20 CE1 :: 130.70 CE2 :: 130.70 CZ :: 127.10 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 :: 7.80 HA :: 5.07 HB2 :: 2.85 HB3 :: 3.24 HD1 :: 7.20 HD2 :: 7.20 HE1 :: 6.98 HE2 :: 6.98 HZ :: 6.42 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 :: 115.50 Ave N Shift Values>> N :: 120.45(4.18) 1.K169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.33 R 0.08 G 0.01 C Shift Assignments>> C :: 174.80 CA :: 54.60 CB :: 34.30 CG :: 24.80 CD :: 28.90 CE :: 42.20 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.63 HA :: 4.90 HB2 :: 1.71 HB3 :: 1.67 HG2 :: 1.42 HG3 :: 1.52 HD2 :: 1.60 HD3 :: 1.65 HE2 :: 2.93 HE3 :: 2.93 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.50 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> CA :: 59.70 CB :: 39.40 CG1 :: 26.90 CG2 :: 16.90 CD1 :: 14.45 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 :: 7.98 HA :: 4.43 HB :: 1.65 HG12 :: 1.17 HG13 :: 1.50 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.60 Ave N Shift Values>> N :: 121.46(4.28) 1.R171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.34 R 0.28 HN Overlap>> 1.M156 1.T206 1.M156 1.T206 1.R112 1.I155 1.R112 1.I155 C Shift Assignments>> CA :: 54.80 CB :: 32.60 CG :: 26.50 CD :: 42.10 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 :: 8.62 HA :: 4.43 HB2 :: 2.06 HB3 :: 1.89 HG2 :: 1.66 HG3 :: 1.50 HD2 :: 3.00 HD3 :: 2.47 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 :: 124.30 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.32 W 0.28 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 174.22 CA :: 54.10 CB :: 31.60 CD2 :: 118.20 CE1 :: 139.90 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.60 HA :: 4.94 HB2 :: 2.83 HB3 :: 3.06 HD1 :: 11.46 HD2 :: 6.75 HE1 :: 7.75 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.60 ND1 :: 166.00 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.15 Y 0.13 C 0.12 F 0.12 L 0.05 E 0.01 M 0.01 I 0.01 HN Overlap>> 1.L45 1.F49 1.L45 1.F49 C Shift Assignments>> CA :: 54.50 CB :: 38.60 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 :: 9.14 HA :: 4.80 HB2 :: 2.85 HB3 :: 3.05 HD21 :: 7.50 HD22 :: 6.30 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.10 ND2 :: 114.40 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 I 0.48 A 0.01 C Shift Assignments>> C :: 177.35 CA :: 58.70 CB :: 39.40 CG1 :: 27.30 CG2 :: 19.10 CD1 :: 12.20 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>> HA :: 4.98 HB :: 1.63 HG12 :: 1.18 HG13 :: 1.32 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 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) 1.E175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.26 K 0.17 Q 0.16 I 0.05 M 0.02 HN Overlap>> 1.H220 1.H220 C Shift Assignments>> C :: 175.78 CA :: 58.50 CB :: 29.20 CG :: 35.20 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 :: 8.45 HA :: 4.28 HB2 :: 2.05 HB3 :: 2.06 HG2 :: 2.16 HG3 :: 2.29 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 :: 125.30 Ave N Shift Values>> N :: 120.67(3.48) 1.D176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.3 L 0.11 F 0.08 C 0.06 Y 0.06 C Shift Assignments>> C :: 177.25 CA :: 53.30 CB :: 39.90 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 :: 7.32 HA :: 4.53 HB2 :: 2.82 HB3 :: 2.64 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 :: 118.90 Ave N Shift Values>> N :: 120.65(3.86) 1.G177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.64 CA :: 44.90 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22 HA2 :: 3.81 HA3 :: 4.32 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.70 Ave N Shift Values>> N :: 109.67(3.87) 1.S178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.87 CA :: 57.40 CB :: 63.80 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.01 HA :: 4.52 HB2 :: 3.88 HB3 :: 3.71 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 :: 118.25 Ave N Shift Values>> N :: 116.28(3.52) 1.V179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 175.13 CA :: 60.40 CB :: 35.40 CG1 :: 20.90 CG2 :: 21.30 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 :: 8.15 HA :: 4.82 HB :: 1.80 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 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 :: 117.40 Ave N Shift Values>> N :: 121.14(4.54) 1.Q180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 C 0.28 K 0.14 H 0.06 R 0.05 P 0.03 W 0.02 N 0.01 E 0.01 C Shift Assignments>> C :: 174.60 CA :: 52.40 CB :: 33.80 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.32 HA :: 4.85 HB2 :: 2.03 HB3 :: 2.20 HG2 :: 2.40 HG3 :: 2.40 HE21 :: 7.32 HE22 :: 6.67 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 :: 128.40 NE2 :: 113.65 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.38 C 0.17 R 0.01 C Shift Assignments>> C :: 178.63 CA :: 53.90 CB :: 44.80 CG :: 27.50 CD1 :: 24.20 CD2 :: 25.10 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 :: 8.94 HA :: 5.12 HB2 :: 1.52 HB3 :: 1.53 HG :: 1.67 HD11 :: 0.84 HD12 :: 0.84 HD13 :: 0.84 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 :: 131.60 Ave N Shift Values>> N :: 121.86(3.9) 1.A182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 L 0.09 C 0.07 HN Overlap>> 1.I101 1.I101 1.L45 1.L45 C Shift Assignments>> C :: 177.31 CA :: 49.90 CB :: 21.70 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.05 HA :: 4.88 HB1 :: 0.77 HB2 :: 0.77 HB3 :: 0.77 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.25 Ave N Shift Values>> N :: 123.23(3.54) 1.D183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.2 K 0.19 R 0.1 F 0.08 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 175.11 CA :: 55.10 CB :: 42.10 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 :: 8.92 HA :: 4.66 HB2 :: 2.87 HB3 :: 3.01 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 :: 132.90 Ave N Shift Values>> N :: 120.65(3.86) 1.H184 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.38 C 0.32 W 0.28 C Shift Assignments>> C :: 173.50 CA :: 55.80 CB :: 32.10 CD2 :: 118.80 CE1 :: 138.40 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.06 HA :: 4.41 HB2 :: 2.39 HB3 :: 2.05 HD1 :: 9.67 HD2 :: 6.78 HE1 :: 7.21 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.85 ND1 :: 160.60(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 174.90 CA :: 57.60 CB :: 39.30 CD1 :: 133.20 CD2 :: 133.20 CE1 :: 118.30 CE2 :: 118.30 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 :: 8.49 HA :: 4.72 HB2 :: 3.05 HB3 :: 3.02 HD1 :: 7.19 HD2 :: 7.19 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 :: 123.50 Ave N Shift Values>> N :: 120.52(4.2) 1.Q186 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.49 C 0.43 Q 0.05 C Shift Assignments>> C :: 173.60 CA :: 52.60 CB :: 33.50 CG :: 33.70 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 :: 8.68 HA :: 5.73(S) HB2 :: 1.66 HB3 :: 1.92 HG2 :: 2.38 HG3 :: 2.38 HE21 :: 7.35 HE22 :: 6.63 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 :: 126.75 NE2 :: 112.30 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.36 Q 0.1 E 0.02 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 174.82 CA :: 54.40 CB :: 33.00 CG :: 33.90 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.11 HA :: 5.24 HB2 :: 2.14 HB3 :: 2.10 HG2 :: 2.40 HG3 :: 2.40 HE21 :: 7.34 HE22 :: 6.72 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 :: 126.50 NE2 :: 112.65 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N188 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 C 0.05 K 0.05 F 0.04 Y 0.02 R 0.01 C Shift Assignments>> C :: 174.04 CA :: 51.40 CB :: 41.50 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 :: 8.40 HA :: 6.38(S) HB2 :: 2.37 HB3 :: 2.95 HD21 :: 7.61 HD22 :: 6.83 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.35 ND2 :: 111.40 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 C 0.43 A 0.02 C Shift Assignments>> C :: 171.60 CA :: 57.90 CB :: 70.90 CG2 :: 22.30 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 :: 8.53 HA :: 5.00 HB :: 4.22 HG21 :: 1.36 HG22 :: 1.36 HG23 :: 1.36 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.50 Ave N Shift Values>> N :: 115.42(4.75) 1.P190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.20 CA :: 63.00 CB :: 32.20 CG :: 27.00 CD :: 50.69 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 :: 4.82 HB2 :: 2.43 HB3 :: 2.07 HG2 :: 2.00 HG3 :: 2.00 HD2 :: 3.83 HD3 :: 3.83 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.I191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.85 CA :: 63.60 CB :: 36.90 CG1 :: 26.70 CG2 :: 16.90 CD1 :: 12.90 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 :: 8.77 HA :: 3.86 HB :: 1.96 HG12 :: 1.53 HG13 :: 1.08 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 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 :: 125.25 Ave N Shift Values>> N :: 121.46(4.28) 1.G192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.75 CA :: 43.70 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.30 HA2 :: 3.84 HA3 :: 4.25 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.76 Ave N Shift Values>> N :: 109.67(3.87) 1.D193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.13 K 0.09 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.40 CA :: 53.26 CB :: 41.35 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 :: 4.76 HB2 :: 2.76 HB3 :: 2.65 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.85 Ave N Shift Values>> N :: 120.65(3.86) 1.G194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.27 R 0.18 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 171.70 CA :: 44.30 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.33 HA2 :: 4.24 HA3 :: 3.83 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.60 Ave N Shift Values>> N :: 109.67(3.87) 1.P195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 177.04 CA :: 62.60 CB :: 31.70 CG :: 27.20 CD :: 50.90 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.47 HB2 :: 1.85 HB3 :: 2.23 HG2 :: 2.02 HG3 :: 2.17 HD2 :: 3.63 HD3 :: 3.62 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.V196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.4 C Shift Assignments>> C :: 175.40 CA :: 58.40 CB :: 32.60 CG1 :: 21.70 CG2 :: 21.80 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.97 HA :: 4.31 HB :: 1.89 HG11 :: 0.73 HG12 :: 0.73 HG13 :: 0.73 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 :: 116.30 Ave N Shift Values>> N :: 121.14(4.54) 1.L197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.2 A 0.01 HN Overlap>> 1.L198 1.L198 C Shift Assignments>> C :: 174.80 CA :: 53.20 CB :: 40.70 CG :: 26.70 CD1 :: 24.30 CD2 :: 25.40 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 :: 4.23 HB2 :: 1.61 HB3 :: 1.07 HG :: 1.52 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 HD21 :: 0.68 HD22 :: 0.68 HD23 :: 0.68 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 :: 122.60 Ave N Shift Values>> N :: 121.86(3.9) 1.L198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.12 A 0.1 G 0.06 HN Overlap>> 1.L197 1.L197 C Shift Assignments>> C :: 176.18 CA :: 49.50 CB :: 41.90 CG :: 26.50 CD1 :: 25.70 CD2 :: 23.10 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.97 HA :: 4.87 HB2 :: 1.52 HB3 :: 1.68 HG :: 1.66 HD11 :: 0.98 HD12 :: 0.98 HD13 :: 0.98 HD21 :: 0.75 HD22 :: 0.75 HD23 :: 0.75 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 :: 122.50 Ave N Shift Values>> N :: 121.86(3.9) 1.P199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.45 P 0.24 K 0.11 Q 0.07 I 0.05 R 0.04 C Shift Assignments>> C :: 178.39 CA :: 61.85 CB :: 33.30 CG :: 28.35 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 :: 5.00 HB2 :: 2.68 HB3 :: 2.41 HG2 :: 1.88 HG3 :: 2.13 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.D200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.19 N 0.18 F 0.07 K 0.06 C 0.05 Y 0.05 C Shift Assignments>> C :: 175.88 CA :: 53.30 CB :: 40.95 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.37 HA :: 4.83 HB2 :: 2.20 HB3 :: 2.70 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.70 Ave N Shift Values>> N :: 120.65(3.86) 1.N201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.17 C 0.1 Y 0.09 F 0.08 L 0.05 C Shift Assignments>> C :: 175.60 CA :: 53.66 CB :: 38.80 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.86 HA :: 5.04 HB2 :: 2.67 HB3 :: 3.07 HD21 :: 6.64 HD22 :: 7.31 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.90 ND2 :: 113.20 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 C 0.39 W 0.17 C Shift Assignments>> C :: 171.11 CA :: 55.90 CB :: 31.60 CD2 :: 117.10 CE1 :: 138.40 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.37 HA :: 4.91 HB2 :: 2.84 HB3 :: 3.05 HD1 :: 11.68 HD2 :: 6.46 HE1 :: 7.76 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.40 ND1 :: 167.80 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.77 C 0.21 C Shift Assignments>> C :: 173.05 CA :: 54.70 CB :: 41.54 CD1 :: 133.30 CD2 :: 133.30 CE1 :: 118.30 CE2 :: 118.30 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 :: 8.26 HA :: 5.66 HB2 :: 2.78 HB3 :: 2.64 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 6.81 HE2 :: 6.81 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 :: 115.65 Ave N Shift Values>> N :: 120.52(4.2) 1.L204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 C 0.12 G 0.05 A 0.02 C Shift Assignments>> CA :: 51.80 CB :: 42.60 CG :: 27.10 CD1 :: 23.90 CD2 :: 23.90 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.75 HA :: 4.75 HB2 :: 1.27 HB3 :: 1.46 HG :: 1.55 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 0.79 HD22 :: 0.79 HD23 :: 0.79 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.30 Ave N Shift Values>> N :: 121.86(3.9) 1.S205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 56.80 CB :: 65.50 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.05 HA :: 5.46 HB2 :: 3.97 HB3 :: 3.85 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 :: 120.70 Ave N Shift Values>> N :: 116.28(3.52) 1.T206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 HN Overlap>> 1.M156 1.M156 1.R171 1.R112 1.I155 1.R171 1.R112 1.I155 C Shift Assignments>> CA :: 59.50 CB :: 70.90 CG2 :: 20.20 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 :: 8.59 HA :: 5.31 HB :: 4.04 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 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 :: 124.30 Ave N Shift Values>> N :: 115.42(4.75) 1.Q207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.3 Q 0.13 E 0.01 C Shift Assignments>> CA :: 54.10 CB :: 32.50 CG :: 33.50 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 :: 8.47 HA :: 4.40 HB2 :: 2.06 HB3 :: 1.97 HG2 :: 2.32 HG3 :: 2.11 HE21 :: 7.27 HE22 :: 6.64 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 :: 115.80 NE2 :: 113.30 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.30 CA :: 57.80 CB :: 65.50 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 5.40 HB2 :: 3.75 HB3 :: 3.62 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.A209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.54 L 0.31 C 0.11 K 0.01 C Shift Assignments>> CA :: 50.97 CB :: 22.40 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.70 HB1 :: 1.34 HB2 :: 1.34 HB3 :: 1.34 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.L210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.5 G 0.28 C 0.16 R 0.03 C Shift Assignments>> CA :: 53.30 CB :: 44.20 CG :: 27.50 CD1 :: 24.70 CD2 :: 25.10 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>> HA :: 5.10 HB2 :: 0.97 HB3 :: 0.85 HG :: 1.12 HD11 :: 0.32 HD12 :: 0.32 HD13 :: 0.32 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) 1.S211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.40 CB :: 65.40 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 5.07 HB2 :: 3.65 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) 1.K212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 R 0.19 K 0.13 A 0.02 G 0.01 C Shift Assignments>> C :: 175.52 CA :: 52.70 CB :: 32.90 CG :: 24.50 CD :: 26.10 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>> HA :: 4.86 HB2 :: 1.44 HB3 :: 1.82 HG2 :: 0.82 HG3 :: 1.40 HD2 :: 0.97 HD3 :: 0.95 HE2 :: 2.48 HE3 :: 2.48 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.D213 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.4 D 0.33 L 0.1 C 0.08 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 49.90 CB :: 40.70 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 :: 12.71(A) HA :: 4.97 HB2 :: 2.52 HB3 :: 2.36 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.40 Ave N Shift Values>> N :: 120.65(3.86) 1.P214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.00 CA :: 63.50 CB :: 32.50 CG :: 27.20 CD :: 50.60 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 :: 4.32 HB2 :: 1.99 HB3 :: 1.89 HG2 :: 2.03 HG3 :: 2.20 HD2 :: 3.87 HD3 :: 3.87 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.N215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.2 C 0.07 F 0.05 Y 0.05 L 0.05 C Shift Assignments>> C :: 174.36 CA :: 52.50 CB :: 39.10 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 :: 4.69 HB2 :: 2.80 HB3 :: 2.61 HD21 :: 7.53 HD22 :: 6.30 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 :: 115.00 ND2 :: 114.76 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.23 K 0.21 E 0.17 M 0.05 R 0.01 C Shift Assignments>> CA :: 54.30 CB :: 29.30 CG :: 34.80 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.43 HA :: 4.07 HB2 :: 1.95 HB3 :: 1.65 HG2 :: 2.02 HG3 :: 1.87 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 :: 123.20 Ave N Shift Values>> N :: 120.67(3.48) 1.K217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.34 R 0.22 HN Overlap>> 1.S33 1.K165 1.S33 1.K165 C Shift Assignments>> C :: 178.72 CA :: 56.20 CB :: 32.46 CG :: 24.70 CD :: 28.40 CE :: 42.20 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.05 HA :: 4.30 HB2 :: 2.03 HB3 :: 1.90 HG2 :: 1.41 HG3 :: 1.42 HD2 :: 1.59 HD3 :: 1.63 HE2 :: 2.98 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 :: 123.20 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.26 K 0.23 G 0.08 C Shift Assignments>> C :: 175.93 CA :: 55.80 CB :: 32.50 CG :: 29.00 CD :: 43.45 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 :: 8.98 HA :: 4.30 HB2 :: 1.89 HB3 :: 1.96 HG2 :: 1.75 HG3 :: 1.77 HD2 :: 3.29 HD3 :: 3.27 HE :: 7.47 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 :: 121.40 NE :: 85.50 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.D219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.18 F 0.08 R 0.07 Y 0.06 C 0.04 N 0.03 HN Overlap>> 1.I101 1.L45 1.I101 1.L45 C Shift Assignments>> C :: 177.05 CA :: 54.90 CB :: 41.90 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.23 HA :: 4.92 HB2 :: 3.03 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 :: 126.25 Ave N Shift Values>> N :: 120.65(3.86) 1.H220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 W 0.4 H 0.18 HN Overlap>> 1.E175 1.E175 C Shift Assignments>> C :: 169.50 CA :: 56.00 CB :: 32.20 CD2 :: 125.86 CE1 :: 139.80 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.41 HA :: 5.32 HB2 :: 3.24 HB3 :: 3.24 HD1 :: 11.50 HD2 :: 6.34 HE1 :: 7.95 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.40 ND1 :: 168.90 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.36 M 0.32 C 0.31 C Shift Assignments>> C :: 174.20 CA :: 54.30 CB :: 36.50 CG :: 32.50 CE :: 17.40 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.84 HA :: 4.71 HB2 :: 2.63 HB3 :: 2.55 HG2 :: 2.12 HG3 :: 2.30 HE1 :: 1.62 HE2 :: 1.62 HE3 :: 1.62 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 :: 117.40 Ave N Shift Values>> N :: 120.09(3.57) 1.V222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> CA :: 61.70 CB :: 32.70 CG1 :: 21.60 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 :: 7.56 HA :: 4.41 HB :: 1.71 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 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 :: 128.65 Ave N Shift Values>> N :: 121.14(4.54) 1.L223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.3 C 0.2 A 0.01 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> C :: 173.40 CA :: 53.30 CB :: 46.20 CG :: 27.20 CD1 :: 24.35 CD2 :: 24.60 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.63 HA :: 5.07 HB2 :: 1.65 HB3 :: 1.52 HG :: 1.50 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 HD21 :: 0.33 HD22 :: 0.33 HD23 :: 0.33 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 :: 129.80 Ave N Shift Values>> N :: 121.86(3.9) 1.L224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.17 G 0.03 R 0.03 C Shift Assignments>> CA :: 53.30 CB :: 42.60 CG :: 27.00 CD1 :: 24.50 CD2 :: 25.00 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 :: 8.33 HA :: 5.13 HB2 :: 1.45 HB3 :: 1.56 HG :: 1.52 HD11 :: 1.04 HD12 :: 1.04 HD13 :: 1.04 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 :: 129.80 Ave N Shift Values>> N :: 121.86(3.9) 1.E225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 M 0.19 E 0.04 C Shift Assignments>> C :: 174.59 CA :: 53.40 CB :: 34.40 CG :: 35.70 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 :: 8.11 HA :: 5.25 HB2 :: 2.01 HB3 :: 1.86 HG2 :: 2.24 HG3 :: 2.23 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 :: 128.70 Ave N Shift Values>> N :: 120.67(3.48) 1.F226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.38 G 0.01 C Shift Assignments>> CA :: 55.60 CB :: 41.70 CD1 :: 133.30 CD2 :: 133.30 CE1 :: 131.40 CE2 :: 131.40 CZ :: 130.20 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 :: 8.74 HA :: 5.84 HB2 :: 3.07 HB3 :: 3.07 HD1 :: 6.69 HD2 :: 6.69 HE1 :: 7.08 HE2 :: 7.08 HZ :: 7.12 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 :: 123.70 Ave N Shift Values>> N :: 120.45(4.18) 1.V227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 HN Overlap>> 1.K110 1.K110 C Shift Assignments>> C :: 175.17 CA :: 60.70 CB :: 35.30 CG1 :: 21.90 CG2 :: 21.75 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 :: 9.23 HA :: 5.01 HB :: 1.73 HG11 :: 0.70 HG12 :: 0.70 HG13 :: 0.70 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 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 :: 123.20 Ave N Shift Values>> N :: 121.14(4.54) 1.T228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 C Shift Assignments>> C :: 172.45 CA :: 59.70 CB :: 71.40 CG2 :: 20.90 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 :: 8.16 HA :: 4.99 HB :: 3.92 HG21 :: 1.27 HG22 :: 1.27 HG23 :: 1.27 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 :: 122.15 Ave N Shift Values>> N :: 115.42(4.75) 1.A229 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.91 M 0.07 C 0.01 C Shift Assignments>> C :: 175.51 CA :: 51.00 CB :: 18.70 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.36 HA :: 4.62 HB1 :: 0.34(S) HB2 :: 0.34(S) HB3 :: 0.34(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.67 Ave N Shift Values>> N :: 123.23(3.54) 1.A230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 L 0.15 C 0.07 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> C :: 175.61 CA :: 51.10 CB :: 21.70 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 :: 4.27 HB1 :: 0.92 HB2 :: 0.92 HB3 :: 0.92 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.73 Ave N Shift Values>> N :: 123.23(3.54) 1.G231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.10 CA :: 44.90 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.05 HA2 :: 3.56 HA3 :: 3.81 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.40 Ave N Shift Values>> N :: 109.67(3.87) 1.I232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 176.13 CA :: 59.90 CB :: 39.40 CG1 :: 27.50 CG2 :: 16.90 CD1 :: 12.20 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 :: 7.06 HA :: 4.43 HB :: 1.65 HG12 :: 1.29 HG13 :: 1.13 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 HD11 :: 0.35 HD12 :: 0.35 HD13 :: 0.35 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.95 Ave N Shift Values>> N :: 121.46(4.28) 1.T233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.K116 1.K116 C Shift Assignments>> C :: 174.11 CA :: 61.20 CB :: 69.30 CG2 :: 21.50 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 :: 8.54 HA :: 4.33 HB :: 4.16 HG21 :: 1.20 HG22 :: 1.20 HG23 :: 1.20 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 :: 120.80 Ave N Shift Values>> N :: 115.42(4.75) 1.L234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.29 R 0.04 C Shift Assignments>> C :: 177.70 CA :: 55.20 CB :: 41.80 CG :: 27.10 CD1 :: 25.40 CD2 :: 24.90 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.13 HA :: 4.10 HB2 :: 1.50 HB3 :: 1.30 HG :: 1.16 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.31 HD22 :: 0.31 HD23 :: 0.31 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 :: 126.40 Ave N Shift Values>> N :: 121.86(3.9) 1.G235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.09 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.50 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.48 HA2 :: 3.40 HA3 :: 4.02 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.40 Ave N Shift Values>> N :: 109.67(3.87) 1.M236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.36 A 0.14 C Shift Assignments>> CA :: 55.50 CB :: 33.20 CG :: 34.20 CE :: 16.60 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 :: 8.08 HA :: 4.36 HB2 :: 1.89 HB3 :: 2.02 HG2 :: 2.39 HG3 :: 2.14 HE1 :: 2.13 HE2 :: 2.13 HE3 :: 2.13 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.00 Ave N Shift Values>> N :: 120.09(3.57) 1.D237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 K 0.15 F 0.09 Y 0.06 N 0.06 C 0.05 R 0.03 C Shift Assignments>> CA :: 54.60 CB :: 41.50 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 :: 4.42 HB2 :: 2.53 HB3 :: 2.65 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.00 Ave N Shift Values>> N :: 120.65(3.86) 1.E238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 F 0.1 Y 0.1 C 0.09 E 0.09 K 0.07 S 0.07 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> CA :: 57.80 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 :: 8.13 HA :: 4.09 HB2 :: 2.14 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 :: 121.20 Ave N Shift Values>> N :: 120.67(3.48) 1.L239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.26 R 0.06 G 0.03 A 0.02 C Shift Assignments>> CA :: 55.20 CB :: 42.80 CG :: 27.00 CD1 :: 25.10 CD2 :: 23.40 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 :: 7.87 HA :: 4.11 HB2 :: 1.20 HB3 :: 1.40 HG :: 1.20 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.10 Ave N Shift Values>> N :: 121.86(3.9) 1.Y240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 174.80 CA :: 57.20 CB :: 38.40 CD1 :: 133.20 CD2 :: 133.20 CE1 :: 118.30 CE2 :: 118.30 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 :: 7.80 HA :: 4.52 HB2 :: 3.11 HB3 :: 2.85 HD1 :: 7.06 HD2 :: 7.06 HE1 :: 6.76 HE2 :: 6.76 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.10 Ave N Shift Values>> N :: 120.52(4.2) 1.K241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.09 E 0.09 Q 0.08 H 0.08 W 0.08 C 0.07 M 0.07 F 0.07 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 57.00 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>> H :: 7.47 HA :: 4.06 HB2 :: 1.72 HB3 :: 1.72 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 :: 127.90 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 221 #Clerical: 0 #Suspicious: 14 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 231 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 238 #Suspicious: 0 C Shift Results: #Consistent:1025 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1620 #Duplicate: 0 #Unknown: 0 #Suspicious: 28 #Anomalous: 1 N Shift Results: #Consistent: 242 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.G23 HA3 = 5.13(S), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8633e-04 1.G34 HA2 = 5.27(S), Expected = 3.97, Std = 0.3700, ChiSquare = 4.4222e-04 1.A40 H = 10.70(S), Expected = 8.20, Std = 0.6000, ChiSquare = 3.0909e-05 1.L56 HD11 = -0.26(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0959e-04 1.L56 HD12 = -0.26(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0959e-04 1.L56 HD13 = -0.26(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0959e-04 1.L56 HD21 = -1.08(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3373e-10 1.L56 HD22 = -1.08(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3373e-10 1.L56 HD23 = -1.08(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3373e-10 1.V58 Typing: Mistyped 1.V58 CG2 = 15.30(S), Expected = 21.26, Std = 1.5600, ChiSquare = 1.3317e-04 1.V58 H = 6.04(S), Expected = 8.29, Std = 0.6700, ChiSquare = 7.8449e-04 1.V58 HG21 = -0.24(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0378e-04 1.V58 HG22 = -0.24(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0378e-04 1.V58 HG23 = -0.24(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0378e-04 1.L67 HD11 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 1.L67 HD12 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 1.L67 HD13 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 1.E98 N = 133.34(S), Expected = 120.67, Std = 3.4800, ChiSquare = 2.7179e-04 1.R99 HA = 5.92(S), Expected = 4.30, Std = 0.4600, ChiSquare = 4.2873e-04 1.I101 HG21 = -0.65(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4464e-07 1.I101 HG22 = -0.65(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4464e-07 1.I101 HG23 = -0.65(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4464e-07 1.A113 CB = 25.20(S), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1826e-04 1.A113 HA = 5.87(S), Expected = 4.26, Std = 0.4400, ChiSquare = 2.5311e-04 1.G130 HA2 = 5.37(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.5446e-04 1.E135 H = 10.35(S), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1768e-04 1.H184 ND1 = 160.60(A), Expected = 195.02, Std = 18.5100, ChiSquare = 6.2951e-02 1.Q186 HA = 5.73(S), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0605e-04 1.N188 HA = 6.38(S), Expected = 4.67, Std = 0.3600, ChiSquare = 2.0342e-06 1.D213 H = 12.71(A), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2941e-14 1.A229 HB1 = 0.34(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0249e-04 1.A229 HB2 = 0.34(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0249e-04 1.A229 HB3 = 0.34(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0249e-04