Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.93 M 0.05 C Shift Assignments>> CA :: 51.65 CB :: 19.46 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.18 HB1 :: 1.55 HB2 :: 1.55 HB3 :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.96 CB :: 69.62 CG2 :: 21.49 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>> HA :: 4.42 HB :: 4.23 HG21 :: 1.24 HG22 :: 1.24 HG23 :: 1.24 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3 Ave N Shift Values>> N :: 115.42(4.75) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.11 F 0.01 C Shift Assignments>> CA :: 45.24 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.06 HA3 :: 3.91 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6 Ave N Shift Values>> N :: 109.67(3.87) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.65 CB :: 69.62 CG2 :: 21.49 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>> HA :: 4.38 HB :: 4.25 HG21 :: 1.21 HG22 :: 1.21 HG23 :: 1.21 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 :: 112.7 Ave N Shift Values>> N :: 115.42(4.75) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 177.42 CA :: 52.43 CB :: 19.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.25 HA :: 4.29 HB1 :: 1.49 HB2 :: 1.49 HB3 :: 1.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.2 Ave N Shift Values>> N :: 123.23(3.54) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.32 M 0.14 E 0.1 C Shift Assignments>> C :: 175.52 CA :: 55.71 CB :: 29.77 CG :: 33.83 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 :: 8.14 HA :: 4.32 HB2 :: 2.1 HB3 :: 1.97 HG2 :: 2.36 HG3 :: 2.36 HE21 :: 7.43 HE22 :: 6.74 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 :: 119.3 NE2 :: 108.1 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.47 CA :: 52.43 CB :: 19.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.19 HA :: 4.37 HB1 :: 1.39 HB2 :: 1.39 HB3 :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3 Ave N Shift Values>> N :: 123.23(3.54) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.97 CA :: 61.96 CB :: 32.9 CG1 :: 20.86 CG2 :: 20.86 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 :: 4.17 HB :: 2.11 HG11 :: 0.94 HG12 :: 0.94 HG13 :: 0.94 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 121.14(4.54) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V90 1.V90 C Shift Assignments>> C :: 174.12 CA :: 57.9 CB :: 63.83 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2 HA :: 4.49 HB2 :: 3.84 HB3 :: 3.84 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119 Ave N Shift Values>> N :: 116.28(3.52) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.15 Q 0.14 M 0.12 I 0.01 HN Overlap>> 1.V14 1.V14 C Shift Assignments>> CA :: 54.46 CB :: 29.77 CG :: 36.02 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 :: 8.28 HA :: 4.7 HB2 :: 2.13 HB3 :: 1.98 HG2 :: 2.36 HG3 :: 2.33 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 :: 122.8 Ave N Shift Values>> N :: 120.67(3.48) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 175.01 CA :: 64.15 CB :: 32.11 CG :: 27.27 CD :: 50.55 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 :: 4.42 HB2 :: 1.94 HB3 :: 2.27 HG2 :: 1.89 HG3 :: 2.17 HD2 :: 3.86 HD3 :: 3.76 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) N Shift Assignments>> N :: 133 Ave N Shift Values>> N :: 134.16(6.62) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.06 C Shift Assignments>> C :: 174.47 CA :: 58.05 CB :: 40.87 CG1 :: 26.8 CG2 :: 18.36 CD1 :: 13.83 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.21 HA :: 5.14 HB :: 1.8 HG12 :: 1.11 HG13 :: 1.31 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 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 :: 113.6 Ave N Shift Values>> N :: 121.46(4.28) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.21 D 0.03 F 0.01 C Shift Assignments>> C :: 174.35 CA :: 53.37 CB :: 44.93 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 :: 8.47 HA :: 5.02 HB2 :: 2.79 HB3 :: 2.63 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 120.65(3.86) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 175.31 CA :: 61.33 CB :: 32.74 CG1 :: 20.24 CG2 :: 21.02 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 :: 8.36 HA :: 4.85 HB :: 1.7 HG11 :: 0.55 HG12 :: 0.55 HG13 :: 0.55 HG21 :: -0.12 HG22 :: -0.12 HG23 :: -0.12 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.8 Ave N Shift Values>> N :: 121.14(4.54) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 E 0.31 Q 0.04 C Shift Assignments>> C :: 175.48 CA :: 53.99 CB :: 32.43 CG :: 36.02 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 :: 4.72 HB2 :: 2.24 HB3 :: 2.22 HG2 :: 2.06 HG3 :: 2.52 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 :: 130.3 Ave N Shift Values>> N :: 120.67(3.48) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7 CA :: 59.3 CB :: 64.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.83 HA :: 4.26 HB2 :: 3.82 HB3 :: 3.82 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 :: 122.3 Ave N Shift Values>> N :: 116.28(3.52) 1.H17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.26 Q 0.21 H 0.15 K 0.13 W 0.11 E 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 174.47 CA :: 54.62 CB :: 27.74 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 :: 8.64 HA :: 4.63 HB2 :: 2.67 HB3 :: 1.62(S) HD2 :: 6.58 HE1 :: 8.46 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 :: 126.9 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 G 0.16 A 0.09 C Shift Assignments>> C :: 177.91 CA :: 53.99 CB :: 43.37 CG :: 27.9 CD1 :: 23.05 CD2 :: 25.08 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.79 HA :: 4.74 HB2 :: 1.59 HB3 :: 1.76 HG :: 1.46 HD11 :: 0.26 HD12 :: 0.26 HD13 :: 0.26 HD21 :: 0.47 HD22 :: 0.47 HD23 :: 0.47 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.6 Ave N Shift Values>> N :: 121.86(3.9) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.31 D 0.07 F 0.07 Y 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 172.69 CA :: 43.88 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.52 HA2 :: 4.49 HA3 :: 3.71 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6 Ave N Shift Values>> N :: 109.67(3.87) 1.S20 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>> C :: 173.2 CA :: 56.8 CB :: 65.71 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.85 HA :: 4.88 HB2 :: 3.44 HB3 :: 3.57 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.1 Ave N Shift Values>> N :: 116.28(3.52) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.57 CA :: 60.4 CB :: 39.61 CG1 :: 27.9 CG2 :: 17.13 CD1 :: 13.99 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 :: 8.74 HA :: 4.27 HB :: 1.47 HG12 :: 0.74 HG13 :: 1.36 HG21 :: 0.49 HG22 :: 0.49 HG23 :: 0.49 HD11 :: 0.36 HD12 :: 0.36 HD13 :: 0.36 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.46(4.28) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 A 0.03 HN Overlap>> 1.F145 1.F145 C Shift Assignments>> CA :: 58.21 CB :: 69.77 CG2 :: 21.18 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 :: 8.77 HA :: 4.88 HB :: 4.22 HG21 :: 1.17 HG22 :: 1.17 HG23 :: 1.17 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 Ave N Shift Values>> N :: 115.42(4.75) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.2 CA :: 62.9 CB :: 31.65 CG :: 26.96 CD :: 50.24 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 :: 4.45 HB2 :: 1.73 HB3 :: 1.76 HG2 :: 1.63 HG3 :: 1.29 HD2 :: 3.53 HD3 :: 3.39 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) N Shift Assignments>> N :: 136.5 Ave N Shift Values>> N :: 134.16(6.62) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.05 L 0.01 C Shift Assignments>> C :: 177.42 CA :: 52.12 CB :: 19.77 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.09 HA :: 4.38 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124 Ave N Shift Values>> N :: 123.23(3.54) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 C Shift Assignments>> C :: 178.31 CA :: 52.9 CB :: 18.68 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.25 HA :: 4.29 HB1 :: 1.49 HB2 :: 1.49 HB3 :: 1.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 123.23(3.54) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.11 F 0.01 C Shift Assignments>> C :: 173.67 CA :: 45.24 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9 HA2 :: 4.12 HA3 :: 3.89 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108 Ave N Shift Values>> N :: 109.67(3.87) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.05 L 0.04 C Shift Assignments>> C :: 177.33 CA :: 53.05 CB :: 20.24 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.01 HA :: 4.42 HB1 :: 1.5 HB2 :: 1.5 HB3 :: 1.5 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1 Ave N Shift Values>> N :: 123.23(3.54) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.44 K 0.3 M 0.15 E 0.1 C Shift Assignments>> C :: 175.62 CA :: 54.62 CB :: 29.77 CG :: 33.99 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 :: 8.05 HA :: 4.78 HB2 :: 2.13 HB3 :: 2.05 HG2 :: 2.44 HG3 :: 2.38 HE21 :: 7.43 HE22 :: 6.74 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 :: 117.5 NE2 :: 111.6 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.17 F 0.01 D 0.01 C Shift Assignments>> C :: 171.98 CA :: 44.93 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.97 HA2 :: 3.43 HA3 :: 4 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4 Ave N Shift Values>> N :: 109.67(3.87) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.46 CA :: 56.18 CB :: 65.08 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 :: 5.09 HB2 :: 3.63 HB3 :: 3.46 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.3 Ave N Shift Values>> N :: 116.28(3.52) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.18 D 0.02 C Shift Assignments>> C :: 175.13 CA :: 53.52 CB :: 45.08 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 :: 8.66 HA :: 5.04 HB2 :: 2.59 HB3 :: 2.59 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 120.65(3.86) 1.D32 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 0.13 Y 0.1 N 0.06 C Shift Assignments>> C :: 176.48 CA :: 55.24 CB :: 41.18 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 :: 8.68 HA :: 4.9 HB2 :: 3.04 HB3 :: 2.7 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 :: 125.3 Ave N Shift Values>> N :: 120.65(3.86) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.82 CA :: 60.87 CB :: 38.21 CG1 :: 27.27 CG2 :: 18.05 CD1 :: 15.08 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 :: 7.88 HA :: 4.72 HB :: 2.06 HG12 :: 1.32 HG13 :: 0.85 HG21 :: 0.8 HG22 :: 0.8 HG23 :: 0.8 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.6 Ave N Shift Values>> N :: 121.46(4.28) 1.G34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 L 0.17 F 0.01 D 0.01 C Shift Assignments>> C :: 172.01 CA :: 44.93 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.15 HA2 :: 4.07 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 :: 108.3 Ave N Shift Values>> N :: 109.67(3.87) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.8 CA :: 54.93 CB :: 41.02 CD1 :: 133.19 CD2 :: 133.19 CE1 :: 117.55 CE2 :: 117.55 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 :: 7.26 HA :: 5.96 HB2 :: 3.22 HB3 :: 2.91 HD1 :: 6.87 HD2 :: 6.87 HE1 :: 6.57 HE2 :: 6.57 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 :: 114.6 Ave N Shift Values>> N :: 120.52(4.2) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.11 C Shift Assignments>> C :: 174.47 CA :: 50.4 CB :: 21.65 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.78 HA :: 4.99 HB1 :: 1.06 HB2 :: 1.06 HB3 :: 1.06 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 123.23(3.54) 1.I37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.98 CA :: 59.62 CB :: 39.61 CG1 :: 27.27 CG2 :: 17.27 CD1 :: 14.46 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 :: 8.83 HA :: 4.14 HB :: 1.7 HG12 :: 1.72 HG13 :: 1.07 HG21 :: -0.42(S) HG22 :: -0.42(S) HG23 :: -0.42(S) HD11 :: 1 HD12 :: 1 HD13 :: 1 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 :: 122.8 Ave N Shift Values>> N :: 121.46(4.28) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I70 1.I70 C Shift Assignments>> C :: 174.26 CA :: 60.71 CB :: 31.02 CG1 :: 19.46 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 :: 9 HA :: 4.22 HB :: 2.04 HG11 :: 0.52 HG12 :: 0.52 HG13 :: 0.52 HG21 :: 0.59 HG22 :: 0.59 HG23 :: 0.59 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 :: 127.6 Ave N Shift Values>> N :: 121.14(4.54) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.39 CA :: 56.8 CB :: 29.93 CD1 :: 127.43 CE3 :: 121.86 CZ2 :: 114.73 CH2 :: 124.32 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.86 HA :: 4.92 HB2 :: 3.22 HB3 :: 3.28 HD1 :: 7.09 HE1 :: 10.32 HE3 :: 7.58 HZ2 :: 7.57 HZ3 :: 7.26 HH2 :: 6.83 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 :: 126.7 NE1 :: 129.3 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.41 CA :: 60.4 CB :: 38.36 CG1 :: 27.43 CG2 :: 18.36 CD1 :: 12.74 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 :: 7.57 HA :: 4.39 HB :: 1.71 HG12 :: 1.38 HG13 :: 1.17 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 HD11 :: 0.54 HD12 :: 0.54 HD13 :: 0.54 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 :: 124.6 Ave N Shift Values>> N :: 121.46(4.28) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.A5 1.A5 C Shift Assignments>> C :: 175.62 CA :: 56.8 CB :: 32.43 CG :: 24.61 CD :: 28.83 CE :: 41.8 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 :: 8.36 HA :: 4.37 HB2 :: 1.68 HB3 :: 1.94 HG2 :: 1.4 HG3 :: 1.37 HD2 :: 1.62 HD3 :: 1.6 HE2 :: 2.88 HE3 :: 2.88 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 :: 126.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 D 0.29 K 0.09 F 0.05 G 0.05 N 0.03 Y 0.03 C Shift Assignments>> C :: 175.2 CA :: 53.37 CB :: 42.9 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 :: 7.65 HA :: 4.65 HB2 :: 2.52 HB3 :: 2.52 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 120.65(3.86) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.51 K 0.36 E 0.07 M 0.03 I 0.01 C Shift Assignments>> C :: 175.1 CA :: 56.33 CB :: 27.74 CG :: 33.83 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 :: 8.65 HA :: 4.19 HB2 :: 2 HB3 :: 2.08 HG2 :: 2.28 HG3 :: 2.31 HE21 :: 7.43 HE22 :: 6.65 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 :: 119.3 NE2 :: 111.7 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.63 CA :: 60.71 CB :: 33.83 CG1 :: 21.96 CG2 :: 19.77 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 :: 7.5 HA :: 4.29 HB :: 2.14 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 HG21 :: 0.67 HG22 :: 0.67 HG23 :: 0.67 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 121.14(4.54) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.2 N 0.17 F 0.1 Y 0.08 K 0.05 C Shift Assignments>> C :: 173.84 CA :: 54.15 CB :: 40.71 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 :: 9.25 HA :: 4.69 HB2 :: 2.71 HB3 :: 2.71 HD21 :: 8.1 HD22 :: 6.77 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 :: 121.2 ND2 :: 115.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 D 0.3 K 0.11 F 0.05 N 0.04 G 0.03 Y 0.03 C Shift Assignments>> C :: 174.33 CA :: 53.37 CB :: 42.74 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 :: 7.72 HA :: 4.93 HB2 :: 2.75 HB3 :: 2.51 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 :: 115.1 Ave N Shift Values>> N :: 120.65(3.86) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.79 CA :: 61.02 CB :: 35.86 CG1 :: 21.65 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 :: 8.63 HA :: 4.59 HB :: 1.94 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.85 HG22 :: 0.85 HG23 :: 0.85 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118 Ave N Shift Values>> N :: 121.14(4.54) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 C Shift Assignments>> C :: 174.84 CA :: 55.24 CB :: 34.46 CG :: 25.86 CD :: 29.3 CE :: 41.96 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 :: 8.73 HA :: 5.2 HB2 :: 1.61 HB3 :: 1.79 HG2 :: 1.29 HG3 :: 1.45 HD2 :: 1.58 HD3 :: 1.58 HE2 :: 3.09 HE3 :: 3.09 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 :: 126.3 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.31 C Shift Assignments>> C :: 174.19 CA :: 53.21 CB :: 46.65 CG :: 26.96 CD1 :: 25.86 CD2 :: 25.71 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 :: 9.33 HA :: 5.13 HB2 :: 1.62 HB3 :: 1.37 HG :: 1.56 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 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 :: 126.3 Ave N Shift Values>> N :: 121.86(3.9) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 C Shift Assignments>> C :: 175.66 CA :: 55.4 CB :: 34.93 CG :: 25.24 CD :: 29.46 CE :: 41.96 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 :: 9.51 HA :: 5.13 HB2 :: 1.56 HB3 :: 1.94 HG2 :: 1.23 HG3 :: 1.23 HD2 :: 1.58 HD3 :: 1.63 HE2 :: 2.81 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 :: 125.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.38 CA :: 60.55 CB :: 33.99 CG1 :: 21.33 CG2 :: 21.49 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 :: 9.14 HA :: 4.73 HB :: 1.83 HG11 :: 0.65 HG12 :: 0.65 HG13 :: 0.65 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 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 :: 128.7 Ave N Shift Values>> N :: 121.14(4.54) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.41 CA :: 61.18 CB :: 72.27 CG2 :: 21.18 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 :: 8.37 HA :: 5.14 HB :: 3.75 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 :: 120.6 Ave N Shift Values>> N :: 115.42(4.75) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.05 C Shift Assignments>> C :: 174.12 CA :: 54.15 CB :: 40.87 CG :: 27.11 CD1 :: 25.71 CD2 :: 23.36 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 :: 9.06 HA :: 3.99 HB2 :: 1.95 HB3 :: 0.98 HG :: 1.13 HD11 :: 0.53 HD12 :: 0.53 HD13 :: 0.53 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 :: 128.9 Ave N Shift Values>> N :: 121.86(3.9) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 L 0.01 C Shift Assignments>> C :: 177.91 CA :: 53.83 CB :: 19.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.79 HA :: 4.05 HB1 :: 1.17 HB2 :: 1.17 HB3 :: 1.17 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 134.6 Ave N Shift Values>> N :: 123.23(3.54) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 M 0.05 Y 0.03 E 0.03 D 0.03 F 0.03 C Shift Assignments>> C :: 175.38 CA :: 51.49 CB :: 36.96 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.16 HA :: 5.19 HB2 :: 3.12 HB3 :: 2.29 HD21 :: 7.38 HD22 :: 6.98 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.2 ND2 :: 111.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.26 I 0.08 C Shift Assignments>> C :: 178.83 CA :: 56.02 CB :: 18.21 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.84 HA :: 3.67 HB1 :: 1.51 HB2 :: 1.51 HB3 :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 123.23(3.54) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.29 K 0.12 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.59 CA :: 59.46 CB :: 29.15 CG :: 36.18 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 :: 8.68 HA :: 3.91 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 2.33 HG3 :: 2.35 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 :: 113.8 Ave N Shift Values>> N :: 120.67(3.48) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.37 E 0.15 I 0.03 M 0.02 HN Overlap>> 1.V133 1.V133 C Shift Assignments>> C :: 177.07 CA :: 57.74 CB :: 28.52 CG :: 34.22 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 :: 7.38 HA :: 4.11 HB2 :: 2.29 HB3 :: 2.16 HG2 :: 2.41 HG3 :: 2.49 HE21 :: 7.42 HE22 :: 6.62 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 :: 117.4 NE2 :: 110.6 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 G 0.12 A 0.06 C Shift Assignments>> C :: 177.94 CA :: 55.71 CB :: 43.21 CG :: 26.49 CD1 :: 22.74 CD2 :: 25.86 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.34 HA :: 4.48 HB2 :: 1.5 HB3 :: 1.88 HG :: 1.86 HD11 :: 0.63 HD12 :: 0.63 HD13 :: 0.63 HD21 :: 0.8 HD22 :: 0.8 HD23 :: 0.8 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 Ave N Shift Values>> N :: 121.86(3.9) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 G 0.06 C Shift Assignments>> CA :: 61.49 CB :: 31.49 CG :: 26.65 CD :: 29.77 CE :: 41.96 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 :: 7.57 HA :: 4.19 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.79 HG3 :: 1.5 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 2.77 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 :: 119 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.44 CA :: 65.08 CB :: 31.33 CG :: 27.74 CD :: 50.87 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 :: 4.17 HB2 :: 2.07 HB3 :: 0.84 HG2 :: 1.77 HG3 :: 1.75 HD2 :: 3.66 HD3 :: 3.4 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) N Shift Assignments>> N :: 131.2 Ave N Shift Values>> N :: 134.16(6.62) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.59 CA :: 59.3 CB :: 39.46 CD1 :: 133.25 CD2 :: 133.25 CE1 :: 118.19 CE2 :: 118.19 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 :: 7.39 HA :: 4.05 HB2 :: 2.16 HB3 :: 2.21 HD1 :: 6.94 HD2 :: 6.94 HE1 :: 6.85 HE2 :: 6.85 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 :: 109.9 Ave N Shift Values>> N :: 120.52(4.2) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.97 G 0.02 C Shift Assignments>> C :: 175.24 CA :: 57.58 CB :: 42.27 CD1 :: 132.67 CD2 :: 132.67 CE1 :: 130.51 CE2 :: 130.51 CZ :: 129.33 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 :: 7.11 HA :: 5.06 HB2 :: 3.05 HB3 :: 2.26 HD1 :: 7.24 HD2 :: 7.24 HE1 :: 6.76 HE2 :: 6.76 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 :: 113.2 Ave N Shift Values>> N :: 120.45(4.18) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 C Shift Assignments>> C :: 177.49 CA :: 58.83 CB :: 33.36 CG :: 26.02 CD :: 29.46 CE :: 42.12 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.03 HA :: 4.23 HB2 :: 1.97 HB3 :: 1.71 HG2 :: 1.42 HG3 :: 1.45 HD2 :: 1.76 HD3 :: 1.73 HE2 :: 3.05 HE3 :: 3.05 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.52 CA :: 56.8 CB :: 40.71 CD1 :: 133.43 CD2 :: 133.43 CE1 :: 117.8 CE2 :: 117.8 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 :: 7.35 HA :: 4.71 HB2 :: 3.07 HB3 :: 3.18 HD1 :: 6.91 HD2 :: 6.91 HE1 :: 6.71 HE2 :: 6.71 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 :: 110.7 Ave N Shift Values>> N :: 120.52(4.2) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 G 0.15 C Shift Assignments>> C :: 173.2 CA :: 55.71 CB :: 43.37 CG :: 27.74 CD1 :: 24.3 CD2 :: 26.02 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 :: 8.69 HA :: 4.74 HB2 :: 1.3 HB3 :: 0.69 HG :: 1.08 HD11 :: 0.27 HD12 :: 0.27 HD13 :: 0.27 HD21 :: 0.27 HD22 :: 0.27 HD23 :: 0.27 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 121.86(3.9) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 Q 0.22 E 0.08 K 0.01 C Shift Assignments>> C :: 175.1 CA :: 53.68 CB :: 31.96 CG :: 34.3 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.51 HA :: 5.24 HB2 :: 2.19 HB3 :: 2.04 HG2 :: 2.35 HG3 :: 2.35 HE21 :: 7 HE22 :: 6.45 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 :: 124.4 NE2 :: 109.1 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.56 CA :: 59.3 CB :: 40.24 CG1 :: 27.9 CG2 :: 18.68 CD1 :: 14.15 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 :: 9.51 HA :: 5.23 HB :: 1.86 HG12 :: 1.03 HG13 :: 1.5 HG21 :: 1 HG22 :: 1 HG23 :: 1 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 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 :: 122.5 Ave N Shift Values>> N :: 121.46(4.28) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.19 Q 0.18 C Shift Assignments>> C :: 175.36 CA :: 55.24 CB :: 32.27 CG :: 34.77 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 :: 9.56 HA :: 4.84 HB2 :: 2.27 HB3 :: 2.27 HG2 :: 2.19 HG3 :: 2.19 HE21 :: 7.12 HE22 :: 6.73 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 :: 128.4 NE2 :: 109.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> C :: 175.13 CA :: 60.87 CB :: 38.99 CG1 :: 26.49 CG2 :: 17.74 CD1 :: 14.48 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 :: 9.03 HA :: 4.43 HB :: 1.61 HG12 :: 0.41 HG13 :: 1.46 HG21 :: 0.34 HG22 :: 0.34 HG23 :: 0.34 HD11 :: 0.59 HD12 :: 0.59 HD13 :: 0.59 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.6 Ave N Shift Values>> N :: 121.46(4.28) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I100 1.I100 C Shift Assignments>> C :: 175.22 CA :: 61.49 CB :: 71.02 CG2 :: 21.33 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 :: 9.27 HA :: 4.78 HB :: 3.87 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 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 :: 125.6 Ave N Shift Values>> N :: 115.42(4.75) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.45 CA :: 54.93 CB :: 65.08 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.91 HA :: 5.61 HB2 :: 4.13 HB3 :: 3.5 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 :: 125.7 Ave N Shift Values>> N :: 116.28(3.52) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 P 0.16 A 0.09 L 0.03 N 0.03 C Shift Assignments>> C :: 170.27 CA :: 47.9 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.83 HA2 :: 4.26 HA3 :: 4.26 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.3 Ave N Shift Values>> N :: 109.67(3.87) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.41 CA :: 55.08 CB :: 41.18 CD1 :: 133.19 CD2 :: 133.19 CE1 :: 117.55 CE2 :: 117.55 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 :: 7.68 HA :: 4.75 HB2 :: 2.92 HB3 :: 2.74 HD1 :: 6.87 HD2 :: 6.87 HE1 :: 6.57 HE2 :: 6.57 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 :: 112.5 Ave N Shift Values>> N :: 120.52(4.2) 1.E75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.68 E 0.3 C Shift Assignments>> C :: 173.48 CA :: 53.37 CB :: 32.74 CG :: 38.05 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 :: 7.78 HA :: 4.62 HB2 :: 0.59(S) HB3 :: 1.19(S) HG2 :: 1.88 HG3 :: 2.04 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 120.67(3.48) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 A 0.25 C Shift Assignments>> C :: 172.29 CA :: 58.99 CB :: 70.55 CG2 :: 18.68 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 :: 7.93 HA :: 4.4 HB :: 4.05 HG1 :: 5.41 HG21 :: 1.1 HG22 :: 1.1 HG23 :: 1.1 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 :: 111.6 Ave N Shift Values>> N :: 115.42(4.75) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 M 0.07 E 0.04 Y 0.04 D 0.03 F 0.03 K 0.01 C Shift Assignments>> C :: 176.23 CA :: 51.65 CB :: 36.8 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 :: 8.01 HA :: 5.09 HB2 :: 3.18 HB3 :: 3.53 HD21 :: 7.65 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 :: 120.7 ND2 :: 109.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.12 CB :: 63.37 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.76 HA :: 4.76 HB2 :: 4.13 HB3 :: 4.01 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.5 Ave N Shift Values>> N :: 116.28(3.52) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.73 CA :: 63.37 CB :: 68.37 CG2 :: 21.96 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>> HA :: 4.13 HB :: 4.28 HG21 :: 1.31 HG22 :: 1.31 HG23 :: 1.31 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 :: 121.9 Ave N Shift Values>> N :: 115.42(4.75) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 177.54 CA :: 53.52 CB :: 18.68 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.32 HA :: 4.14 HB1 :: 0.88 HB2 :: 0.88 HB3 :: 0.88 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4 Ave N Shift Values>> N :: 123.23(3.54) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 G 0.2 A 0.01 C Shift Assignments>> C :: 176.88 CA :: 56.02 CB :: 43.68 CG :: 26.65 CD1 :: 23.68 CD2 :: 25.86 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.11 HA :: 4.48 HB2 :: 1.74 HB3 :: 1.66 HG :: 2.21 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 1.13 HD22 :: 1.13 HD23 :: 1.13 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 :: 118.8 Ave N Shift Values>> N :: 121.86(3.9) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.35 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 171.42 CA :: 44.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.47 HA2 :: 4.05 HA3 :: 3.79 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.9 Ave N Shift Values>> N :: 109.67(3.87) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.24 L 0.07 F 0.06 Y 0.06 C Shift Assignments>> C :: 175.24 CA :: 52.74 CB :: 39.3 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 :: 4.58 HB2 :: 2.64 HB3 :: 2.76 HD21 :: 7.24 HD22 :: 6.77 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116 ND2 :: 110 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.4 G 0.08 C Shift Assignments>> C :: 173.81 CA :: 57.74 CB :: 43.21 CD1 :: 132.64 CD2 :: 132.64 CE1 :: 131.41 CE2 :: 131.41 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 :: 7.25 HA :: 4.55 HB2 :: 2.89 HB3 :: 2.89 HD1 :: 6.91 HD2 :: 6.91 HE1 :: 7.29 HE2 :: 7.29 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 :: 121.5 Ave N Shift Values>> N :: 120.45(4.18) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.37 CA :: 57.27 CB :: 65.24 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.75 HA :: 4.9 HB2 :: 3.46 HB3 :: 3.42 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 :: 118.9 Ave N Shift Values>> N :: 116.28(3.52) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 E 0.39 Q 0.01 C Shift Assignments>> C :: 175.57 CA :: 56.18 CB :: 34.61 CG :: 36.33 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.06 HA :: 4.34 HB2 :: 1.93 HB3 :: 1.84 HG2 :: 2.1 HG3 :: 2.2 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.6 Ave N Shift Values>> N :: 120.67(3.48) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.14 CA :: 64.93 CB :: 68.37 CG2 :: 22.11 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.04 HA :: 4.18 HB :: 4 HG21 :: 1.1 HG22 :: 1.1 HG23 :: 1.1 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 :: 126.5 Ave N Shift Values>> N :: 115.42(4.75) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 G 0.43 C Shift Assignments>> C :: 176.2 CA :: 54.93 CB :: 35.24 CG :: 25.08 CD :: 28.36 CE :: 43.52 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 :: 4.66 HB2 :: 1.91 HB3 :: 1.61 HG2 :: 1.75 HG3 :: 1.1 HD2 :: 1.94 HD3 :: 1.76 HE2 :: 3.09 HE3 :: 2.98 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 A 0.27 K 0.06 C Shift Assignments>> C :: 174.8 CA :: 51.8 CB :: 23.05 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.68 HA :: 4.61 HB1 :: 1.24 HB2 :: 1.24 HB3 :: 1.24 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117 Ave N Shift Values>> N :: 123.23(3.54) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.S9 1.S9 C Shift Assignments>> C :: 175.76 CA :: 61.65 CB :: 34.3 CG1 :: 21.18 CG2 :: 21.33 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 :: 8.22 HA :: 4.95 HB :: 1.91 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 HG21 :: 0.9 HG22 :: 0.9 HG23 :: 0.9 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119 Ave N Shift Values>> N :: 121.14(4.54) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> 1.L143 1.L143 1.A98 1.A98 C Shift Assignments>> C :: 174.35 CA :: 59.3 CB :: 40.87 CG1 :: 27.43 CG2 :: 19.15 CD1 :: 14.46 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 :: 8.9 HA :: 4.77 HB :: 2.16 HG12 :: 1.22 HG13 :: 1.48 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 121.46(4.28) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 S 0.45 C Shift Assignments>> C :: 174.7 CA :: 56.65 CB :: 67.43 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.31 HA :: 5.66 HB2 :: 4.43 HB3 :: 3.95 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 :: 118.3 Ave N Shift Values>> N :: 116.28(3.52) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 A 0.01 C Shift Assignments>> C :: 177.26 CA :: 57.58 CB :: 40.71 CG :: 26.65 CD1 :: 26.18 CD2 :: 22.9 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.76 HA :: 3.98 HB2 :: 1.4 HB3 :: 2.03 HG :: 1.94 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.84 HD22 :: 0.84 HD23 :: 0.84 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 :: 114.8 Ave N Shift Values>> N :: 121.86(3.9) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.28 K 0.18 F 0.1 Y 0.07 N 0.05 C Shift Assignments>> C :: 175.83 CA :: 54.77 CB :: 41.65 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 :: 7.59 HA :: 4.63 HB2 :: 2.49 HB3 :: 2.74 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 :: 112.4 Ave N Shift Values>> N :: 120.65(3.86) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.2 L 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.33 CB :: 39.15 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 :: 7.31 HA :: 5.16 HB2 :: 3.03 HB3 :: 2.65 HD21 :: 7.46 HD22 :: 6.8 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.3 ND2 :: 112.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 174.7 CA :: 65.08 CB :: 32.74 CG :: 26.49 CD :: 50.24 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 :: 4.98 HB2 :: 2.17 HB3 :: 2.43 HG2 :: 1.99 HG3 :: 1.9 HD2 :: 3.38 HD3 :: 3.76 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) N Shift Assignments>> N :: 134.4 Ave N Shift Values>> N :: 134.16(6.62) 1.S97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.79 T 0.2 C Shift Assignments>> C :: 172.9 CA :: 56.65 CB :: 66.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.74 HA :: 5.81(S) HB2 :: 3.64 HB3 :: 3.64 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 :: 113.5 Ave N Shift Values>> N :: 116.28(3.52) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 A 0.29 K 0.06 HN Overlap>> 1.L143 1.I91 1.L143 1.I91 C Shift Assignments>> C :: 175.15 CA :: 51.02 CB :: 23.21 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81 HA :: 4.67 HB1 :: 1.19 HB2 :: 1.19 HB3 :: 1.19 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 123.23(3.54) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K114 1.K114 C Shift Assignments>> C :: 175.66 CA :: 61.96 CB :: 32.43 CG1 :: 21.49 CG2 :: 21.33 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 :: 8.3 HA :: 4.71 HB :: 1.92 HG11 :: 0.89 HG12 :: 0.89 HG13 :: 0.89 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 :: 120.7 Ave N Shift Values>> N :: 121.14(4.54) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 HN Overlap>> 1.T71 1.T71 C Shift Assignments>> C :: 173.53 CA :: 58.68 CB :: 40.87 CG1 :: 26.96 CG2 :: 17.9 CD1 :: 14.15 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 :: 9.27 HA :: 4.58 HB :: 1.8 HG12 :: 1.37 HG13 :: 1.15 HG21 :: 0.73 HG22 :: 0.73 HG23 :: 0.73 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 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 :: 125.5 Ave N Shift Values>> N :: 121.46(4.28) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.34 CA :: 61.18 CB :: 33.05 CG1 :: 21.49 CG2 :: 21.18 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 :: 8.5 HA :: 4.76 HB :: 1.99 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.3 Ave N Shift Values>> N :: 121.14(4.54) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 A 0.1 G 0.02 C Shift Assignments>> C :: 174.66 CA :: 52.27 CB :: 42.27 CG :: 26.33 CD1 :: 25.55 CD2 :: 23.05 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.99 HA :: 4.85 HB2 :: 1.81 HB3 :: 1.02 HG :: 1.53 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.72 HD22 :: 0.72 HD23 :: 0.72 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.9 Ave N Shift Values>> N :: 121.86(3.9) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.27 D 0.24 F 0.03 N 0.02 K 0.02 Y 0.01 C Shift Assignments>> C :: 176.48 CA :: 51.96 CB :: 43.37 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 :: 9.61 HA :: 5 HB2 :: 2.88 HB3 :: 2.82 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 :: 125.2 Ave N Shift Values>> N :: 120.65(3.86) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 C Shift Assignments>> C :: 178.66 CA :: 59.46 CB :: 31.96 CG :: 24.61 CD :: 28.99 CE :: 41.96 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 :: 8.55 HA :: 3.89 HB2 :: 1.9 HB3 :: 1.8 HG2 :: 1.46 HG3 :: 1.46 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.04 HE3 :: 3.04 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.41 K 0.07 Q 0.01 C Shift Assignments>> C :: 176.23 CA :: 58.83 CB :: 28.68 CG :: 36.96 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 :: 8.43 HA :: 3.79 HB2 :: 1.55 HB3 :: 1.36 HG2 :: 2.16 HG3 :: 2.16 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.5 Ave N Shift Values>> N :: 120.67(3.48) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.19 F 0.12 D 0.08 Y 0.07 K 0.04 C Shift Assignments>> C :: 175.13 CA :: 56.8 CB :: 43.83 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 :: 7.5 HA :: 4.17 HB2 :: 2.5 HB3 :: 2.81 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 :: 114.3 Ave N Shift Values>> N :: 120.65(3.86) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.52 CA :: 60.4 CB :: 38.05 CG1 :: 27.43 CG2 :: 17.9 CD1 :: 12.89 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.97 HA :: 3.95 HB :: 1.64 HG12 :: 0.49 HG13 :: 1.5 HG21 :: 0.6 HG22 :: 0.6 HG23 :: 0.6 HD11 :: 0.53 HD12 :: 0.53 HD13 :: 0.53 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 Ave N Shift Values>> N :: 121.46(4.28) 1.A108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 177.54 CA :: 51.65 CB :: 18.27 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.85 HA :: 3.89 HB1 :: 0.29(S) HB2 :: 0.29(S) HB3 :: 0.29(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.8 Ave N Shift Values>> N :: 123.23(3.54) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.38 CA :: 61.33 CB :: 34.61 CG1 :: 21.65 CG2 :: 21.49 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 :: 7.24 HA :: 3.93 HB :: 1.7 HG11 :: 0.53 HG12 :: 0.53 HG13 :: 0.53 HG21 :: 0.7 HG22 :: 0.7 HG23 :: 0.7 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 :: 121.9 Ave N Shift Values>> N :: 121.14(4.54) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.31 A 0.17 C Shift Assignments>> CA :: 52.58 CB :: 43.83 CG :: 26.49 CD1 :: 22.58 CD2 :: 25.08 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.59 HA :: 4.38 HB2 :: 1.62 HB3 :: 1.07 HG :: 1.54 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.8 Ave N Shift Values>> N :: 121.86(3.9) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 54.77 CB :: 38.36 CD1 :: 133.14 CD2 :: 133.14 CE1 :: 117.98 CE2 :: 117.98 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>> HA :: 4.44 HB2 :: 2 HB3 :: 2.76 HD1 :: 6.7 HD2 :: 6.7 HE1 :: 6.64 HE2 :: 6.64 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 :: 116.5 Ave N Shift Values>> N :: 120.52(4.2) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 175.78 CA :: 64.62 CB :: 32.27 CG :: 26.8 CD :: 50.24 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 :: 3.98 HB2 :: 2.1 HB3 :: 1.83 HG2 :: 1.43 HG3 :: 1.72 HD2 :: 3.06 HD3 :: 3.53 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) N Shift Assignments>> N :: 131.6 Ave N Shift Values>> N :: 134.16(6.62) 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.23 L 0.17 F 0.1 Y 0.08 K 0.03 C Shift Assignments>> C :: 176.2 CA :: 53.99 CB :: 40.4 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4 HA :: 4.55 HB2 :: 2.67 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 :: 116.4 Ave N Shift Values>> N :: 120.65(3.86) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 HN Overlap>> 1.V99 1.V99 C Shift Assignments>> C :: 176.67 CA :: 55.4 CB :: 34.15 CG :: 25.08 CD :: 29.15 CE :: 41.96 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 :: 8.3 HA :: 4.58 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 1.6 HD3 :: 1.47 HE2 :: 2.86 HE3 :: 2.86 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 :: 120.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.99 CB :: 68.99 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 :: 8.22 HA :: 4.09 HB :: 4.07 HG21 :: 1.26 HG22 :: 1.26 HG23 :: 1.26 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 :: 116.7 Ave N Shift Values>> N :: 115.42(4.75) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.13 F 0.01 C Shift Assignments>> C :: 174.91 CA :: 45.08 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.74 HA2 :: 3.69 HA3 :: 4.09 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.9 Ave N Shift Values>> N :: 109.67(3.87) 1.Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 57.58 CB :: 40.08 CD1 :: 134.25 CD2 :: 134.25 CE1 :: 118.65 CE2 :: 118.65 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 :: 8.1 HA :: 4.76 HB2 :: 2.85 HB3 :: 3.16 HD1 :: 7.14 HD2 :: 7.14 HE1 :: 6.89 HE2 :: 6.89 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 120.52(4.2) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.49 CA :: 63.83 CB :: 68.99 CG2 :: 21.96 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>> HA :: 4.2 HB :: 4.04 HG21 :: 1.26 HG22 :: 1.26 HG23 :: 1.26 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118 Ave N Shift Values>> N :: 115.42(4.75) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 E 0.13 Y 0.12 F 0.09 M 0.07 D 0.05 L 0.01 K 0.01 I 0.01 C Shift Assignments>> C :: 175.05 CA :: 54.15 CB :: 37.27 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 :: 8.8 HA :: 4.26 HB2 :: 3.16 HB3 :: 2.86 HD21 :: 7.24 HD22 :: 6.82 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.5 ND2 :: 111.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.02 CA :: 61.02 CB :: 72.12 CG2 :: 22.58 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 :: 7.66 HA :: 4.95 HB :: 4.23 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 :: 110.6 Ave N Shift Values>> N :: 115.42(4.75) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 S 0.21 C Shift Assignments>> C :: 173.51 CA :: 57.43 CB :: 67.74 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.15 HA :: 5.62 HB2 :: 4.28 HB3 :: 4.13 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 :: 113.6 Ave N Shift Values>> N :: 116.28(3.52) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 HN Overlap>> 1.T137 1.F166 1.T137 1.F166 C Shift Assignments>> C :: 175.05 CA :: 59.77 CB :: 41.65 CG1 :: 27.58 CG2 :: 17.58 CD1 :: 14.15 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.79 HA :: 4.85 HB :: 1.53 HG12 :: 1.45 HG13 :: 0.82 HG21 :: 0.69 HG22 :: 0.69 HG23 :: 0.69 HD11 :: 0.51 HD12 :: 0.51 HD13 :: 0.51 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 121.46(4.28) 1.W123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 W 0.42 C Shift Assignments>> C :: 173.06 CA :: 55.24 CB :: 32.9 CD1 :: 129.61 CE3 :: 120.24 CZ2 :: 114.71 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.03 HA :: 5.5 HB2 :: 2.96 HB3 :: 3.23 HD1 :: 7.3 HE1 :: 10.06 HE3 :: 7.14 HZ2 :: 7.34 HZ3 :: 7.14 HH2 :: 6.92 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 :: 126.1 NE1 :: 131.9 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 60.55 CB :: 33.52 CG1 :: 19.93 CG2 :: 21.33 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 :: 6.95 HA :: 3.78 HB :: 1.77 HG11 :: 0.69 HG12 :: 0.69 HG13 :: 0.69 HG21 :: 0.24 HG22 :: 0.24 HG23 :: 0.24 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.14(4.54) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 V 0.43 I 0.04 W 0.01 C Shift Assignments>> C :: 177.21 CA :: 64.58 CB :: 31.33 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 :: 3.96 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) N Shift Assignments>> N :: 138.3 Ave N Shift Values>> N :: 134.16(6.62) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.11 F 0.01 C Shift Assignments>> C :: 174.59 CA :: 45.24 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.67 HA2 :: 4.26 HA3 :: 3.82 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1 Ave N Shift Values>> N :: 109.67(3.87) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.24 E 0.16 M 0.16 C Shift Assignments>> CA :: 53.21 CB :: 29.77 CG :: 34.61 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.49 HA :: 4.94 HB2 :: 1.91 HB3 :: 1.91 HG2 :: 2.13 HG3 :: 2.13 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 :: 119.4 Ave N Shift Values>> N :: 120.67(3.48) 1.P128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.02 CA :: 63.55 CB :: 31.18 CG :: 26.8 CD :: 49.93 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 :: 3.04(S) HB2 :: 1.29 HB3 :: 1.31 HG2 :: 1.68 HG3 :: 1.68 HD2 :: 3.35 HD3 :: 3.61 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) N Shift Assignments>> N :: 134 Ave N Shift Values>> N :: 134.16(6.62) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.16 F 0.11 Y 0.09 K 0.02 C Shift Assignments>> C :: 177.31 CA :: 53.99 CB :: 40.24 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.18 HA :: 4.43 HB2 :: 2.57 HB3 :: 2.57 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.3 Ave N Shift Values>> N :: 120.65(3.86) 1.K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 L 0.04 G 0.02 C Shift Assignments>> C :: 174.54 CA :: 54.3 CB :: 29.77 CG :: 24.93 CD :: 28.52 CE :: 41.96 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 :: 8.3 HA :: 4.49 HB2 :: 1.69 HB3 :: 1.99 HG2 :: 1.38 HG3 :: 1.29 HD2 :: 1.51 HD3 :: 1.51 HE2 :: 3.07 HE3 :: 3.11 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 :: 125.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.88 CA :: 61.49 CB :: 37.9 CG1 :: 28.68 CG2 :: 18.21 CD1 :: 12.58 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 :: 7.1 HA :: 4.08 HB :: 1.8 HG12 :: 1.16 HG13 :: 1.59 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.46(4.28) 1.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 176.18 CA :: 59.93 CB :: 38.05 CG1 :: 27.27 CG2 :: 18.99 CD1 :: 9.46 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 :: 9.32 HA :: 4.38 HB :: 1.84 HG12 :: 1.17 HG13 :: 1.78 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 HD11 :: 0.57 HD12 :: 0.57 HD13 :: 0.57 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 :: 129.3 Ave N Shift Values>> N :: 121.46(4.28) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 L 0.01 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> C :: 173.48 CA :: 61.96 CB :: 36.96 CG1 :: 23.21 CG2 :: 22.74 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 :: 7.47 HA :: 4.46 HB :: 1.89 HG11 :: 1.28 HG12 :: 1.28 HG13 :: 1.28 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 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 :: 117.4 Ave N Shift Values>> N :: 121.14(4.54) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.45 CA :: 55.71 CB :: 40.4 CD1 :: 134.01 CD2 :: 134.01 CE1 :: 117.8 CE2 :: 117.8 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 :: 9.18 HA :: 5.18 HB2 :: 2.94 HB3 :: 2.86 HD1 :: 7.2 HD2 :: 7.2 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 :: 126.8 Ave N Shift Values>> N :: 120.52(4.2) 1.N135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.45 D 0.18 Y 0.13 F 0.12 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 172.5 CA :: 54.15 CB :: 38.68 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 :: 8.78 HA :: 4.1 HB2 :: 2.71 HB3 :: 1.09(S) HD21 :: 7.11 HD22 :: 6.72 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 :: 124.1 ND2 :: 109.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 E 0.28 Q 0.03 C Shift Assignments>> C :: 174.35 CA :: 54.77 CB :: 33.83 CG :: 36.02 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.55 HA :: 4.51 HB2 :: 1.9 HB3 :: 1.82 HG2 :: 2.1 HG3 :: 2.1 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 :: 110.2 Ave N Shift Values>> N :: 120.67(3.48) 1.T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I122 1.I122 C Shift Assignments>> C :: 173.86 CA :: 62.12 CB :: 68.37 CG2 :: 22.14 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 :: 8.88 HA :: 4.28 HB :: 3.94 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 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 :: 121.3 Ave N Shift Values>> N :: 115.42(4.75) 1.K138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 54.62 CB :: 34.46 CG :: 25.08 CD :: 29.93 CE :: 41.33 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 :: 9.12 HA :: 4.5 HB2 :: 1.49 HB3 :: 1.94 HG2 :: 1.38 HG3 :: 1.22 HD2 :: 1.47 HD3 :: 1.47 HE2 :: 2.18(S) HE3 :: 2.46 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 :: 131.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 V 0.44 I 0.02 W 0.01 C Shift Assignments>> C :: 175.62 CA :: 64.27 CB :: 31.78 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.41 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.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.02 I 0.01 C Shift Assignments>> C :: 170.79 CA :: 59.46 CB :: 36.02 CG1 :: 20.55 CG2 :: 22.9 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8 HA :: 5.14 HB :: 1.97 HG11 :: 0.11 HG12 :: 0.11 HG13 :: 0.11 HG21 :: 0.54 HG22 :: 0.54 HG23 :: 0.54 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 :: 121.8 Ave N Shift Values>> N :: 121.14(4.54) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.38 K 0.04 P 0.02 C Shift Assignments>> C :: 175.41 CA :: 50.08 CB :: 23.21 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4 HA :: 4.99 HB1 :: 1.14 HB2 :: 1.14 HB3 :: 1.14 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.1 Ave N Shift Values>> N :: 123.23(3.54) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.77 CA :: 61.02 CB :: 38.99 CG1 :: 27.43 CG2 :: 18.05 CD1 :: 14.46 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 :: 9.66 HA :: 4.68 HB :: 2.65 HG12 :: 0.76 HG13 :: 1.42 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 121.46(4.28) 1.L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 A 0.31 G 0.31 HN Overlap>> 1.I91 1.A98 1.I91 1.A98 C Shift Assignments>> C :: 174.35 CA :: 52.27 CB :: 43.68 CG :: 26.49 CD1 :: 22.11 CD2 :: 25.55 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.83 HA :: 4.94 HB2 :: 0.82 HB3 :: 1.82 HG :: 1.57 HD11 :: 0.68 HD12 :: 0.68 HD13 :: 0.68 HD21 :: 0.72 HD22 :: 0.72 HD23 :: 0.72 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 121.86(3.9) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 D 0.32 K 0.14 F 0.06 N 0.05 Y 0.04 G 0.01 C Shift Assignments>> C :: 174.38 CA :: 53.52 CB :: 42.27 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 :: 9.13 HA :: 5.14 HB2 :: 2.76 HB3 :: 2.58 HD21 :: 6.31 HD22 :: 6.31 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 :: 121.5 ND2 :: 110.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.T22 1.T22 C Shift Assignments>> C :: 174.12 CA :: 56.96 CB :: 41.65 CD1 :: 132.37 CD2 :: 132.37 CE1 :: 130.78 CE2 :: 130.78 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 :: 8.8 HA :: 5.3 HB2 :: 2.39 HB3 :: 2.85 HD1 :: 6.87 HD2 :: 6.87 HE1 :: 6.46 HE2 :: 6.46 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 :: 122 Ave N Shift Values>> N :: 120.45(4.18) 1.K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.97 G 0.01 C Shift Assignments>> C :: 173.67 CA :: 55.24 CB :: 36.65 CG :: 24.93 CD :: 29.3 CE :: 41.65 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 :: 8.57 HA :: 5.03 HB2 :: 1.78 HB3 :: 1.72 HG2 :: 1.22 HG3 :: 0.97 HD2 :: 1.6 HD3 :: 1.6 HE2 :: 2.82 HE3 :: 2.82 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 :: 125.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 L 0.2 C Shift Assignments>> C :: 175.1 CA :: 50.24 CB :: 22.11 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.2 HA :: 5.43 HB1 :: 1.3 HB2 :: 1.3 HB3 :: 1.3 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.5 Ave N Shift Values>> N :: 123.23(3.54) 1.F148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.84 CA :: 56.65 CB :: 41.18 CD1 :: 132.38 CD2 :: 132.38 CE1 :: 131.47 CE2 :: 131.47 CZ :: 129 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 :: 9.45 HA :: 5.12 HB2 :: 3.32 HB3 :: 3.12 HD1 :: 7.31 HD2 :: 7.31 HE1 :: 7.23 HE2 :: 7.23 HZ :: 7.2 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 120.45(4.18) 1.Y149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 G 0.04 C Shift Assignments>> C :: 173.62 CA :: 56.18 CB :: 42.43 CD1 :: 133.31 CD2 :: 133.31 CE1 :: 117.8 CE2 :: 117.8 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 :: 8.16 HA :: 4.92 HB2 :: 2.98 HB3 :: 2.74 HD1 :: 6.61 HD2 :: 6.61 HE1 :: 6.7 HE2 :: 6.7 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 120.52(4.2) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 E 0.43 Q 0.01 C Shift Assignments>> C :: 175.99 CA :: 56.18 CB :: 33.36 CG :: 36.49 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 :: 7.14 HA :: 4.83 HB2 :: 1.75 HB3 :: 1.94 HG2 :: 2.24 HG3 :: 2.27 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116 Ave N Shift Values>> N :: 120.67(3.48) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 L 0.02 C Shift Assignments>> C :: 176.91 CA :: 52.12 CB :: 20.08 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.48 HA :: 4.81 HB1 :: 1.6 HB2 :: 1.6 HB3 :: 1.6 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.7 Ave N Shift Values>> N :: 123.23(3.54) 1.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 C Shift Assignments>> C :: 176.23 CA :: 56.8 CB :: 33.36 CG :: 26.33 CD :: 29.15 CE :: 42.12 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.08 HA :: 4.07 HB2 :: 1.37 HB3 :: 1.76 HG2 :: 1.24 HG3 :: 1.3 HD2 :: 1.59 HD3 :: 1.57 HE2 :: 2.84 HE3 :: 2.89 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 :: 120.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.15 Q 0.11 I 0.08 M 0.07 C Shift Assignments>> C :: 177.47 CA :: 57.74 CB :: 29.77 CG :: 36.02 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 :: 8.69 HA :: 4.13 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 2.33 HG3 :: 2.33 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 :: 123.1 Ave N Shift Values>> N :: 120.67(3.48) 1.G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.95 CA :: 45.55 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.62 HA2 :: 3.72 HA3 :: 4.07 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1 Ave N Shift Values>> N :: 109.67(3.87) 1.M155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 Q 0.15 K 0.03 C Shift Assignments>> C :: 174.8 CA :: 53.52 CB :: 32.27 CG :: 31.65 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 :: 7.39 HA :: 4.74 HB2 :: 1.99 HB3 :: 1.92 HG2 :: 2.53 HG3 :: 2.24 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 :: 118.3 Ave N Shift Values>> N :: 120.09(3.57) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 G 0.06 A 0.02 C Shift Assignments>> C :: 175.95 CA :: 54.62 CB :: 42.9 CG :: 27.11 CD1 :: 23.68 CD2 :: 24.46 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.02 HA :: 4.41 HB2 :: 1.53 HB3 :: 1.52 HG :: 1.53 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.84 HD22 :: 0.84 HD23 :: 0.84 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 121.86(3.9) 1.F157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.58 CA :: 56.33 CB :: 40.4 CD1 :: 133.07 CD2 :: 133.07 CE1 :: 130.51 CE2 :: 130.51 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 :: 7.57 HA :: 4.67 HB2 :: 2.65 HB3 :: 2.95 HD1 :: 6.89 HD2 :: 6.89 HE1 :: 7.01 HE2 :: 7.01 HZ :: 6.95 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 :: 118.5 Ave N Shift Values>> N :: 120.45(4.18) 1.D158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.29 K 0.19 F 0.08 Y 0.05 N 0.05 C Shift Assignments>> C :: 175.38 CA :: 54.46 CB :: 41.96 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 :: 8.21 HA :: 4.64 HB2 :: 2.65 HB3 :: 2.58 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.65(3.86) 1.S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.86 CA :: 57.74 CB :: 63.99 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9 HA :: 4.87 HB2 :: 3.62 HB3 :: 3.69 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.1 Ave N Shift Values>> N :: 116.28(3.52) 1.L160 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.62 L 0.27 A 0.1 C Shift Assignments>> CA :: 51.02 CB :: 44.3 CG :: 26.33 CD1 :: 26.18 CD2 :: 22.74 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.72 HA :: 4.8 HB2 :: 1.27 HB3 :: 1.03 HG :: 1.06 HD11 :: 0.28 HD12 :: 0.28 HD13 :: 0.28 HD21 :: -0.24(S) HD22 :: -0.24(S) HD23 :: -0.24(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 :: 125.5 Ave N Shift Values>> N :: 121.86(3.9) 1.P161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.27 CA :: 62.16 CB :: 32.43 CG :: 26.33 CD :: 50.08 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 :: 2.08 HB3 :: 1.58 HG2 :: 1.96 HG3 :: 1.87 HD2 :: 3.72 HD3 :: 3.45 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.V162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.02 CA :: 61.02 CB :: 32.9 CG1 :: 22.58 CG2 :: 20.55 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 :: 7.55 HA :: 3.97 HB :: 1.68 HG11 :: 0.74 HG12 :: 0.74 HG13 :: 0.74 HG21 :: 0.45 HG22 :: 0.45 HG23 :: 0.45 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 :: 116.6 Ave N Shift Values>> N :: 121.14(4.54) 1.I163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.38 CA :: 59.46 CB :: 39.15 CG1 :: 26.49 CG2 :: 17.27 CD1 :: 12.11 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 :: 7.49 HA :: 4.09 HB :: 1.38 HG12 :: 1.21 HG13 :: 0.93 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 HD11 :: 0.7 HD12 :: 0.7 HD13 :: 0.7 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 :: 125.1 Ave N Shift Values>> N :: 121.46(4.28) 1.F164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.94 G 0.05 C Shift Assignments>> C :: 175.41 CA :: 55.71 CB :: 42.58 CD1 :: 132.13 CD2 :: 132.13 CE1 :: 130.11 CE2 :: 130.11 CZ :: 127.81 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 :: 8.12 HA :: 5.36 HB2 :: 2.35 HB3 :: 2.05 HD1 :: 6.68 HD2 :: 6.68 HE1 :: 6.7 HE2 :: 6.7 HZ :: 6.81 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 :: 123.6 Ave N Shift Values>> N :: 120.45(4.18) 1.N165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 L 0.25 N 0.16 K 0.08 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.62 CA :: 51.65 CB :: 41.8 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 :: 8.87 HA :: 5.06 HB2 :: 2.53 HB3 :: 2.72 HD21 :: 7.36 HD22 :: 6.76 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.5 ND2 :: 110.7 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 HN Overlap>> 1.I122 1.I122 C Shift Assignments>> C :: 174.82 CA :: 56.8 CB :: 41.96 CD1 :: 132.46 CD2 :: 132.46 CE1 :: 130.98 CE2 :: 130.98 CZ :: 128.99 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 :: 8.8 HA :: 5.27 HB2 :: 3.05 HB3 :: 2.68 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 7.04 HE2 :: 7.04 HZ :: 6.77 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 120.45(4.18) 1.Q167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 Q 0.2 E 0.03 C Shift Assignments>> C :: 174.82 CA :: 54.15 CB :: 32.43 CG :: 33.68 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 :: 8.89 HA :: 4.8 HB2 :: 2.03 HB3 :: 1.95 HG2 :: 2.23 HG3 :: 2.35 HE21 :: 7.43 HE22 :: 6.74 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 :: 121.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.62 CA :: 63.68 CB :: 31.65 CG1 :: 21.8 CG2 :: 21.96 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 :: 9.19 HA :: 4.05 HB :: 2.12 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 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 :: 128 Ave N Shift Values>> N :: 121.14(4.54) 1.L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.03 C Shift Assignments>> C :: 176.98 CA :: 55.24 CB :: 42.58 CG :: 27.11 CD1 :: 24.93 CD2 :: 25.08 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.83 HA :: 4.37 HB2 :: 1.6 HB3 :: 1.65 HG :: 1.63 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.5 Ave N Shift Values>> N :: 121.86(3.9) 1.Q170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 Q 0.27 E 0.09 K 0.01 C Shift Assignments>> C :: 173.86 CA :: 55.71 CB :: 32.11 CG :: 33.99 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 :: 7.73 HA :: 4.54 HB2 :: 1.93 HB3 :: 2.06 HG2 :: 2.3 HG3 :: 2.33 HE21 :: 7.54 HE22 :: 6.74 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 :: 117.3 NE2 :: 111.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.63 CA :: 61.49 CB :: 34.15 CG1 :: 22.11 CG2 :: 21.18 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 :: 8.32 HA :: 4.67 HB :: 2.13 HG11 :: 1.01 HG12 :: 1.01 HG13 :: 1.01 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 121.14(4.54) 1.G172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 46.02 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.39 HA2 :: 4.03 HA3 :: 3.78 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 121 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 162 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 172 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 172 #Suspicious: 0 C Shift Results: #Consistent: 756 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1210 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 187 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.H17 HB3 = 1.62(S), Expected = 3.04, Std = 0.3800, ChiSquare = 1.8635e-04 1.G34 HA3 = 5.13(S), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8633e-04 1.I37 HG21 = -0.42(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0462e-05 1.I37 HG22 = -0.42(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0462e-05 1.I37 HG23 = -0.42(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0462e-05 1.E75 HB2 = 0.59(S), Expected = 2.02, Std = 0.2100, ChiSquare = 9.7922e-12 1.E75 HB3 = 1.19(S), Expected = 1.99, Std = 0.2300, ChiSquare = 5.0468e-04 1.S97 HA = 5.81(S), Expected = 4.48, Std = 0.4000, ChiSquare = 8.8419e-04 1.A108 HB1 = 0.29(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.5636e-05 1.A108 HB2 = 0.29(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.5636e-05 1.A108 HB3 = 0.29(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.5636e-05 1.P128 HA = 3.04(S), Expected = 4.40, Std = 0.3300, ChiSquare = 3.7688e-05 1.N135 HB3 = 1.09(S), Expected = 2.75, Std = 0.3300, ChiSquare = 4.8971e-07 1.K138 HE2 = 2.18(S), Expected = 2.92, Std = 0.1900, ChiSquare = 9.8305e-05 1.L160 HD21 = -0.24(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.2334e-04 1.L160 HD22 = -0.24(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.2334e-04 1.L160 HD23 = -0.24(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.2334e-04