Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 59.73 CB :: 64.96 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.11 HB2 :: 3.92 HB3 :: 3.72 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.22 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 174.90 CA :: 53.30 CB :: 39.01 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.72 HB2 :: 2.73 HB3 :: 2.81 HD21 :: 6.87 HD22 :: 7.56 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.98 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.86 M 0.12 C Shift Assignments>> C :: 178.06 CA :: 52.93 CB :: 19.18 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.26 HB1 :: 1.34 HB2 :: 1.34 HB3 :: 1.34 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.05 CA :: 45.42 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.28 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 :: 107.81 Ave N Shift Values>> N :: 109.67(3.87) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.1 K 0.09 HN Overlap>> 1.V11 1.V11 C Shift Assignments>> C :: 176.09 CA :: 55.98 CB :: 30.98 CG :: 27.15 CD :: 43.35 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.01 HA :: 4.30 HB2 :: 1.70 HB3 :: 1.80 HG3 :: 1.56 HD3 :: 3.13 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.29 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.32 M 0.12 E 0.1 R 0.02 HN Overlap>> 1.E29 2.A47 1.E29 2.A47 C Shift Assignments>> C :: 175.54 CA :: 55.70 CB :: 29.71 CG :: 33.91 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 :: 8.38 HA :: 4.33 HB2 :: 1.92 HB3 :: 2.01 HG3 :: 2.29 HE21 :: 6.76 HE22 :: 7.42 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 :: 121.91 NE2 :: 112.20 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.41 CA :: 59.70 CB :: 32.70 CG1 :: 21.29 CG2 :: 20.01 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 :: 8.10 HA :: 4.37 HB :: 2.03 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.23 Ave N Shift Values>> N :: 121.14(4.54) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.72 CA :: 63.39 CB :: 32.18 CG :: 27.46 CD :: 50.97 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.36 HB2 :: 1.84 HB3 :: 2.20 HG2 :: 1.86 HG3 :: 1.93 HD2 :: 3.60 HD3 :: 3.77 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.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.57 CA :: 58.80 CB :: 63.85 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.28 HA :: 4.29 HB3 :: 3.79 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 :: 115.59 Ave N Shift Values>> N :: 116.28(3.52) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 176.26 CA :: 56.72 CB :: 33.27 CG :: 24.82 CD :: 29.03 CE :: 41.92 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 :: 8.16 HA :: 4.28 HB2 :: 1.69 HB3 :: 1.77 HG3 :: 1.34 HD3 :: 1.59 HE3 :: 2.90 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 :: 122.79 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R5 1.R5 C Shift Assignments>> CA :: 62.88 CB :: 32.61 CG1 :: 21.20 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 :: 8.05 HA :: 3.99 HB :: 1.95 HG11 :: 0.83 HG12 :: 0.83 HG13 :: 0.83 HG21 :: 0.73 HG22 :: 0.73 HG23 :: 0.73 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 :: 120.20 Ave N Shift Values>> N :: 121.14(4.54) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 62.37 CB :: 38.29 CG1 :: 27.78 CG2 :: 17.48 CD1 :: 13.05 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 3.90 HB :: 1.62 HG12 :: 1.24 HG13 :: 0.94 HG21 :: 0.50 HG22 :: 0.50 HG23 :: 0.50 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 57.38 CB :: 29.68 CD1 :: 127.00 CE3 :: 121.30 CZ2 :: 114.33 CZ3 :: 121.49 CH2 :: 124.00 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>> HA :: 4.60 HB2 :: 3.14 HB3 :: 3.28 HD1 :: 7.15 HE1 :: 9.82 HE3 :: 7.48 HZ2 :: 7.21 HZ3 :: 6.89 HH2 :: 6.90 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>> NE1 :: 128.14 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.26 L 0.22 F 0.16 Y 0.13 K 0.12 N 0.06 I 0.01 R 0.01 C Shift Assignments>> CA :: 55.60 CB :: 40.93 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>> HA :: 4.43 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) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.5 H 0.49 C Shift Assignments>> CA :: 57.41 CB :: 30.10 CD2 :: 120.09 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.45 HB3 :: 3.06 HD2 :: 6.90 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 K 0.01 G 0.01 HN Overlap>> 1.D21 1.D21 C Shift Assignments>> C :: 177.72 CA :: 56.45 CB :: 42.02 CD1 :: 25.42 CD2 :: 23.65 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.06 HA :: 4.15 HB2 :: 1.48 HB3 :: 1.66 HG :: 1.29 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 HD21 :: 0.70 HD22 :: 0.70 HD23 :: 0.70 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.80 Ave N Shift Values>> N :: 121.86(3.9) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.27 CA :: 59.77 CB :: 63.51 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.13 HA :: 4.28 HB2 :: 3.77 HB3 :: 3.88 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.20 Ave N Shift Values>> N :: 116.28(3.52) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.08 CA :: 62.80 CB :: 69.59 CG2 :: 21.79 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 :: 7.85 HA :: 4.27 HB :: 4.22 HG21 :: 1.15 HG22 :: 1.15 HG23 :: 1.15 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.09 Ave N Shift Values>> N :: 115.42(4.75) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.89 A 0.1 HN Overlap>> 2.R88 2.R88 C Shift Assignments>> C :: 175.99 CA :: 56.70 CB :: 33.06 CG :: 32.05 CE :: 17.17 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 :: 7.95 HA :: 4.25 HB3 :: 1.85 HG3 :: 2.31 HE1 :: 1.88 HE2 :: 1.88 HE3 :: 1.88 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 :: 120.60 Ave N Shift Values>> N :: 120.09(3.57) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 2.V106 2.Y61 2.V106 2.Y61 C Shift Assignments>> C :: 175.49 CA :: 58.16 CB :: 38.98 CD1 :: 133.28 CE1 :: 118.22 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.81 HA :: 4.46 HB2 :: 2.83 HB3 :: 3.02 HD1 :: 7.03 HE1 :: 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 :: 118.98 Ave N Shift Values>> N :: 120.52(4.2) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 K 0.11 F 0.1 N 0.1 Y 0.08 R 0.01 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> C :: 176.58 CA :: 54.48 CB :: 41.10 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.06 HA :: 4.52 HB2 :: 2.57 HB3 :: 2.70 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.81 Ave N Shift Values>> N :: 120.65(3.86) 1.M22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 A 0.13 HN Overlap>> 2.L95 2.L95 C Shift Assignments>> C :: 176.84 CA :: 56.41 CB :: 32.69 CG :: 32.43 CE :: 17.23 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.14 HA :: 4.29 HB3 :: 2.02 HG2 :: 2.48 HG3 :: 2.57 HE1 :: 1.97 HE2 :: 1.97 HE3 :: 1.97 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 :: 120.41 Ave N Shift Values>> N :: 120.09(3.57) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.12 R 0.05 M 0.04 I 0.01 HN Overlap>> 2.K131 2.K131 C Shift Assignments>> C :: 176.18 CA :: 56.98 CB :: 29.02 CG :: 34.01 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 :: 8.19 HA :: 4.15 HB2 :: 1.99 HB3 :: 2.06 HG3 :: 2.31 HE21 :: 6.72 HE22 :: 7.51 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.48 NE2 :: 111.95 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 HN Overlap>> 2.I42 2.L78 2.I42 2.L78 C Shift Assignments>> C :: 177.92 CA :: 52.82 CB :: 19.04 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.94 HA :: 4.21 HB1 :: 1.30 HB2 :: 1.30 HB3 :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.00 Ave N Shift Values>> N :: 123.23(3.54) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.07 G 0.02 A 0.01 HN Overlap>> 2.E65 2.E65 C Shift Assignments>> C :: 177.38 CA :: 55.71 CB :: 42.30 CG :: 27.08 CD1 :: 25.12 CD2 :: 23.66 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 :: 7.84 HA :: 4.17 HB2 :: 1.44 HB3 :: 1.56 HG :: 1.51 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 0.74 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.70 Ave N Shift Values>> N :: 121.86(3.9) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 W 0.48 C Shift Assignments>> C :: 175.27 CA :: 56.32 CB :: 30.25 CD2 :: 120.15 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 :: 8.15 HA :: 4.55 HB2 :: 3.06 HB3 :: 3.13 HD2 :: 7.04 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.22 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.11 K 0.09 I 0.07 Q 0.06 HN Overlap>> 2.D57 2.D57 C Shift Assignments>> C :: 176.47 CA :: 57.32 CB :: 30.15 CG :: 36.41 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 :: 8.24 HA :: 4.17 HB2 :: 1.91 HB3 :: 2.02 HG3 :: 2.16 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.20 Ave N Shift Values>> N :: 120.67(3.48) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.29 CA :: 58.73 CB :: 63.94 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.12 HA :: 4.37 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 :: 115.23 Ave N Shift Values>> N :: 116.28(3.52) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.16 K 0.07 Q 0.06 I 0.04 HN Overlap>> 1.Q6 1.Q6 2.Y46 2.Y46 C Shift Assignments>> C :: 176.00 CA :: 56.80 CB :: 30.45 CG :: 36.44 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 :: 8.27 HA :: 4.25 HB2 :: 1.91 HB3 :: 2.01 HG3 :: 2.17 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.92 Ave N Shift Values>> N :: 120.67(3.48) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.L112 2.Q90 2.V39 2.E44 2.L112 2.Q90 2.V39 2.E44 C Shift Assignments>> C :: 175.57 CA :: 60.90 CB :: 38.79 CG1 :: 27.28 CG2 :: 17.62 CD1 :: 12.99 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 :: 7.85 HA :: 4.09 HB :: 1.75 HG12 :: 1.35 HG13 :: 1.05 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 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 :: 120.00 Ave N Shift Values>> N :: 121.46(4.28) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.05 G 0.02 C Shift Assignments>> CA :: 52.61 CB :: 42.21 CD1 :: 25.47 CD2 :: 23.59 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 :: 8.05 HA :: 4.47 HB2 :: 1.16 HB3 :: 1.48 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 0.74 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.35 Ave N Shift Values>> N :: 121.86(3.9) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.30 CA :: 63.22 CB :: 31.66 CG :: 27.22 CD :: 50.21 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 :: 4.34 HB2 :: 1.82 HB3 :: 2.08 HG2 :: 1.82 HG3 :: 1.90 HD2 :: 3.34 HD3 :: 3.65 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.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 F 0.32 C Shift Assignments>> CA :: 53.51 CB :: 39.12 CD1 :: 133.25 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 :: 7.10 HA :: 4.55 HB3 :: 2.89 HD1 :: 7.08 HE1 :: 6.94 HZ :: 7.23 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.60 Ave N Shift Values>> N :: 120.45(4.18) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.65 CA :: 62.99 CB :: 31.53 CD :: 50.21 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 :: 4.18 HB2 :: 1.72 HB3 :: 2.06 HD2 :: 2.95 HD3 :: 3.25 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.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.22 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> CA :: 50.97 CB :: 39.45 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.12 HA :: 4.96 HB2 :: 2.24 HB3 :: 2.78 HD21 :: 6.65 HD22 :: 7.59 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.39 ND2 :: 111.49 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.70 CA :: 62.88 CB :: 32.06 CG :: 26.77 CD :: 50.21 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.38 HD2 :: 3.41 HD3 :: 3.49 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 M 0.11 I 0.08 K 0.06 Q 0.02 C Shift Assignments>> C :: 176.67 CA :: 56.74 CB :: 30.14 CG :: 36.95 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.08 HA :: 4.35 HB3 :: 1.90 HG2 :: 2.03 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 :: 118.39 Ave N Shift Values>> N :: 120.67(3.48) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.19 K 0.07 C Shift Assignments>> C :: 175.43 CA :: 54.99 CB :: 32.72 CG :: 26.94 CD :: 43.61 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.74 HA :: 4.47 HB2 :: 1.65 HB3 :: 1.73 HG2 :: 1.48 HG3 :: 1.54 HD3 :: 3.10 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.31 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.18 Y 0.11 F 0.11 L 0.05 E 0.01 M 0.01 C Shift Assignments>> C :: 174.96 CA :: 53.93 CB :: 38.70 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.60 HB2 :: 2.69 HB3 :: 2.97 HD21 :: 7.21 HD22 :: 7.74 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>> ND2 :: 113.90 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.56 F 0.43 C Shift Assignments>> C :: 172.90 CA :: 60.29 CB :: 38.29 CD2 :: 132.22 CE2 :: 130.99 CZ :: 128.01 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 :: 8.14 HA :: 3.95 HB2 :: 1.66(S) HB3 :: 2.50 HD2 :: 6.88 HE2 :: 7.22 HZ :: 6.92 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.70 Ave N Shift Values>> N :: 120.45(4.18) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.21 CA :: 60.19 CB :: 35.50 CG1 :: 20.71 CG2 :: 21.08 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 :: 6.16 HA :: 4.17 HB :: 1.67 HG11 :: 0.81 HG12 :: 0.81 HG13 :: 0.81 HG21 :: 0.73 HG22 :: 0.73 HG23 :: 0.73 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.79 Ave N Shift Values>> N :: 121.14(4.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.02 G 0.01 C Shift Assignments>> C :: 174.18 CA :: 51.83 CB :: 41.76 CG :: 26.44 CD1 :: 25.82 CD2 :: 26.19 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 :: 8.34 HA :: 4.25 HB2 :: 1.23 HB3 :: 1.70 HG :: 1.43 HD11 :: 0.97 HD12 :: 0.97 HD13 :: 0.97 HD21 :: 0.65 HD22 :: 0.65 HD23 :: 0.65 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.50 Ave N Shift Values>> N :: 121.86(3.9) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.53 CA :: 63.45 CB :: 32.66 CG :: 27.86 CD :: 51.10 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 :: 4.16 HB2 :: 1.74 HB3 :: 2.47 HG2 :: 1.95 HG3 :: 2.08 HD2 :: 3.35 HD3 :: 3.95 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.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.27 K 0.09 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.82 CA :: 59.36 CB :: 29.48 CG :: 36.38 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.63 HA :: 3.65 HB3 :: 1.91 HG3 :: 2.22 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.82 Ave N Shift Values>> N :: 120.67(3.48) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.37 K 0.1 Q 0.04 C Shift Assignments>> C :: 178.71 CA :: 59.54 CB :: 28.78 CG :: 36.35 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.27 HA :: 3.98 HB3 :: 1.94 HG3 :: 2.21 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.98 Ave N Shift Values>> N :: 120.67(3.48) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.A124 2.A124 C Shift Assignments>> C :: 176.42 CA :: 64.56 CB :: 38.02 CG1 :: 29.53 CG2 :: 17.16 CD1 :: 12.80 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 :: 7.17 HA :: 3.77 HB :: 1.74 HG12 :: 1.66 HG13 :: 1.02 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.81 Ave N Shift Values>> N :: 121.46(4.28) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.83 CA :: 65.33 CB :: 38.52 CG1 :: 29.61 CG2 :: 17.36 CD1 :: 12.61 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 :: 6.53 HA :: 3.24 HB :: 1.52 HG12 :: 1.02 HG13 :: 0.09 HG21 :: 0.58 HG22 :: 0.58 HG23 :: 0.58 HD11 :: -0.25 HD12 :: -0.25 HD13 :: -0.25 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.48 Ave N Shift Values>> N :: 121.46(4.28) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.37 R 0.1 E 0.06 M 0.03 I 0.02 C Shift Assignments>> C :: 178.04 CA :: 58.59 CB :: 28.45 CG :: 33.67 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 :: 8.21 HA :: 3.87 HB3 :: 1.96 HG3 :: 2.31 HE21 :: 6.64 HE22 :: 7.49 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 :: 116.72 NE2 :: 111.40 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.24 K 0.08 Q 0.03 M 0.03 C Shift Assignments>> C :: 178.79 CA :: 59.11 CB :: 29.68 CG :: 36.54 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 :: 7.70 HA :: 3.94 HB2 :: 1.95 HB3 :: 2.15 HG2 :: 2.15 HG3 :: 2.39 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 :: 118.71 Ave N Shift Values>> N :: 120.67(3.48) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.W21 2.W21 C Shift Assignments>> C :: 177.86 CA :: 65.17 CB :: 32.59 CG1 :: 23.29 CG2 :: 21.28 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.60 HA :: 3.75 HB :: 1.99 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 :: 118.09 Ave N Shift Values>> N :: 121.14(4.54) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.13 G 0.12 C Shift Assignments>> C :: 177.43 CA :: 57.74 CB :: 30.72 CG :: 27.91 CD :: 43.50 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.30 HA :: 4.16 HB3 :: 1.86 HG2 :: 1.58 HG3 :: 1.74 HD3 :: 3.12 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.41 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.11 K 0.09 Q 0.07 I 0.06 C Shift Assignments>> C :: 177.15 CA :: 57.09 CB :: 30.11 CG :: 36.42 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 :: 8.00 HA :: 4.26 HB3 :: 2.02 HG3 :: 2.23 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.30 Ave N Shift Values>> N :: 120.67(3.48) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 173.44 CA :: 45.88 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.93 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 :: 109.17 Ave N Shift Values>> N :: 109.67(3.87) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 G 0.01 C Shift Assignments>> C :: 171.30 CA :: 57.34 CB :: 34.08 CG :: 24.86 CD :: 28.98 CE :: 42.08 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 :: 7.62 HA :: 4.14 HB2 :: 1.65 HB3 :: 1.80 HG3 :: 1.33 HD3 :: 1.60 HE3 :: 2.93 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.48 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.23 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 174.50 CA :: 53.33 CB :: 39.09 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.69 HB2 :: 2.66 HB3 :: 2.74 HD21 :: 6.81 HD22 :: 7.45 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.39 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 176.87 CA :: 52.33 CB :: 19.53 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.18 HA :: 4.23 HB1 :: 1.28 HB2 :: 1.28 HB3 :: 1.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.75 Ave N Shift Values>> N :: 123.23(3.54) 2.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.23 Q 0.07 K 0.05 I 0.02 C Shift Assignments>> C :: 175.96 CA :: 56.48 CB :: 30.78 CG :: 36.28 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 :: 8.09 HA :: 4.06 HB3 :: 1.82 HG3 :: 2.06 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 :: 119.27 Ave N Shift Values>> N :: 120.67(3.48) 2.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.02 CA :: 62.32 CB :: 32.31 CG1 :: 21.49 CG2 :: 22.33 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 :: 7.84 HA :: 3.92 HB :: 2.01 HG11 :: 0.83 HG12 :: 0.83 HG13 :: 0.83 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.08 Ave N Shift Values>> N :: 121.14(4.54) 2.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 G 0.01 C Shift Assignments>> C :: 174.99 CA :: 55.69 CB :: 33.41 CG :: 24.86 CD :: 28.99 CE :: 42.02 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 :: 8.24 HA :: 4.33 HB3 :: 1.67 HG3 :: 1.30 HD3 :: 1.59 HE3 :: 2.90 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 :: 126.13 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.63 CA :: 61.32 CB :: 32.78 CG1 :: 22.00 CG2 :: 21.78 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.07 HA :: 4.32 HB :: 2.05 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.73 HG22 :: 0.73 HG23 :: 0.73 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.28 Ave N Shift Values>> N :: 121.14(4.54) 2.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.79 R 0.19 C Shift Assignments>> C :: 175.49 CA :: 55.64 CB :: 32.24 CG :: 24.98 CD :: 29.14 CE :: 41.93 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.28 HB3 :: 1.53 HG2 :: 1.13 HG3 :: 1.29 HD3 :: 1.50 HE3 :: 2.85 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) 2.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.03 C Shift Assignments>> C :: 174.64 CA :: 57.99 CB :: 37.94 CG1 :: 27.89 CG2 :: 16.72 CD1 :: 11.53 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 :: 8.51 HA :: 4.16 HB :: 1.76 HG12 :: 1.49 HG13 :: 1.29 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 HD11 :: 0.70 HD12 :: 0.70 HD13 :: 0.70 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 :: 127.58 Ave N Shift Values>> N :: 121.46(4.28) 2.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.93 S 0.06 C Shift Assignments>> C :: 177.21 CA :: 63.62 CB :: 32.87 CD :: 52.47 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.33 HB2 :: 1.59 HB3 :: 2.52 HD3 :: 3.40 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.35 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 179.21 CA :: 60.14 CB :: 29.50 CG :: 36.27 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.96 HA :: 3.75 HB2 :: 1.95 HB3 :: 2.04 HG3 :: 2.37 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.48 Ave N Shift Values>> N :: 120.67(3.48) 2.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.3 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 177.90 CA :: 59.45 CB :: 29.59 CG :: 36.60 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.12 HA :: 4.07 HB2 :: 1.91 HB3 :: 2.03 HG3 :: 2.34 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 :: 116.06 Ave N Shift Values>> N :: 120.67(3.48) 2.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 R 0.28 G 0.08 A 0.03 C Shift Assignments>> C :: 177.10 CA :: 54.59 CB :: 43.26 CG :: 27.63 CD1 :: 26.38 CD2 :: 23.30 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.72 HA :: 4.49 HB2 :: 1.37 HB3 :: 1.61 HG :: 1.33 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.58 HD22 :: 0.58 HD23 :: 0.58 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 :: 114.52 Ave N Shift Values>> N :: 121.86(3.9) 2.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.82 G 0.09 K 0.07 C Shift Assignments>> CA :: 62.49 CB :: 30.64 CG :: 27.85 CE :: 41.73 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 :: 7.32 HA :: 3.92 HB2 :: 1.61 HB3 :: 1.97 HG3 :: 1.66 HE2 :: 2.72 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 :: 119.69 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.36 CA :: 66.15 CB :: 30.84 CG :: 28.68 CD :: 50.99 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 :: 4.03 HB2 :: 1.59 HB3 :: 2.18 HG2 :: 1.80 HG3 :: 1.97 HD2 :: 3.46 HD3 :: 3.79 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.W16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.14 Y 0.12 F 0.12 I 0.09 W 0.09 V 0.06 T 0.06 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.97 CA :: 59.61 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 :: 6.87 HA :: 4.34 HB2 :: 2.87 HB3 :: 2.95 HD1 :: 6.79 HE1 :: 9.76 HE3 :: 7.66 HZ3 :: 7.03 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 :: 115.99 NE1 :: 126.12 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 L 0.38 K 0.03 G 0.02 C Shift Assignments>> C :: 179.74 CA :: 58.58 CB :: 42.27 CG :: 28.03 CD1 :: 23.83 CD2 :: 26.77 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 :: 7.37 HA :: 4.02 HB2 :: 1.57 HB3 :: 2.12 HG :: 1.75 HD11 :: 1.02 HD12 :: 1.02 HD13 :: 1.02 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 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 :: 118.52 Ave N Shift Values>> N :: 121.86(3.9) 2.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.50 CA :: 66.48 CB :: 31.82 CG1 :: 21.93 CG2 :: 24.81 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 :: 7.34 HA :: 3.67 HB :: 2.10 HG11 :: 1.06 HG12 :: 1.06 HG13 :: 1.06 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 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 :: 118.93 Ave N Shift Values>> N :: 121.14(4.54) 2.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.35 Y 0.34 I 0.12 L 0.07 D 0.06 N 0.01 K 0.01 C Shift Assignments>> C :: 177.68 CA :: 58.12 CB :: 39.77 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.30 HA :: 4.31 HB2 :: 2.12 HB3 :: 2.27 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) 2.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.22 F 0.11 K 0.11 Y 0.07 D 0.05 G 0.03 I 0.01 HN Overlap>> 2.V117 2.V117 C Shift Assignments>> C :: 174.84 CA :: 57.53 CB :: 43.11 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 :: 7.95 HA :: 4.07 HB2 :: 2.74 HB3 :: 2.84 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 :: 119.09 Ave N Shift Values>> N :: 120.65(3.86) 2.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 W 0.19 E 0.08 K 0.08 V 0.07 R 0.06 H 0.06 Q 0.05 P 0.03 M 0.01 HN Overlap>> 1.V50 1.V50 C Shift Assignments>> C :: 179.21 CA :: 61.17 CB :: 29.25 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.52 HA :: 3.96 HB2 :: 3.69 HB3 :: 3.74 HD1 :: 7.40 HE1 :: 9.82 HE3 :: 7.92 HZ2 :: 7.37 HZ3 :: 6.84 HH2 :: 7.04 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 :: 118.02 NE1 :: 129.37 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.D22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 L 0.22 F 0.11 Y 0.07 G 0.07 K 0.06 D 0.04 C Shift Assignments>> C :: 178.40 CA :: 57.78 CB :: 43.45 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 :: 8.91 HA :: 3.33(S) HB2 :: 2.62 HB3 :: 2.76 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.98 Ave N Shift Values>> N :: 120.65(3.86) 2.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 G 0.01 R 0.01 C Shift Assignments>> C :: 177.53 CA :: 58.69 CB :: 42.04 CG :: 27.53 CD1 :: 23.68 CD2 :: 23.77 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 :: 8.92 HA :: 3.40 HB2 :: 0.61 HB3 :: 1.69 HG :: 1.40 HD11 :: 0.45 HD12 :: 0.45 HD13 :: 0.45 HD21 :: -0.08 HD22 :: -0.08 HD23 :: -0.08 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.48 Ave N Shift Values>> N :: 121.86(3.9) 2.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.S52 2.S52 C Shift Assignments>> C :: 178.30 CA :: 61.81 CB :: 37.95 CG1 :: 27.39 CG2 :: 19.16 CD1 :: 11.98 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 :: 7.72 HA :: 4.56 HB :: 1.68 HG12 :: 2.14 HG13 :: 1.64 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 HD11 :: 1.29 HD12 :: 1.29 HD13 :: 1.29 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.09 Ave N Shift Values>> N :: 121.46(4.28) 2.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.27 CA :: 64.62 CB :: 69.74 CG2 :: 21.38 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 :: 7.90 HA :: 3.73 HB :: 3.77 HG1 :: 2.75 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 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 :: 105.18 Ave N Shift Values>> N :: 115.42(4.75) 2.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.28 G 0.04 C Shift Assignments>> C :: 177.93 CA :: 57.71 CB :: 30.74 CG :: 27.78 CD :: 42.83 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.39 HA :: 4.29 HB3 :: 1.70 HG2 :: 1.04 HG3 :: 1.15 HD2 :: 2.70 HD3 :: 2.96 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.89 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 Q 0.18 H 0.14 W 0.14 E 0.14 R 0.1 M 0.03 L 0.02 I 0.02 C Shift Assignments>> C :: 175.28 CA :: 56.72 CB :: 28.81 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 :: 7.99 HA :: 4.10 HB2 :: 2.28 HB3 :: 2.44 HG2 :: 1.98 HG3 :: 2.12 HE21 :: 6.55 HE22 :: 7.64 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.06 NE2 :: 113.57 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.53 L 0.3 K 0.11 G 0.03 C Shift Assignments>> C :: 175.56 CA :: 56.40 CB :: 27.98 CG :: 24.55 CD :: 28.10 CE :: 42.51 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 :: 6.70 HA :: 3.58 HB2 :: 1.57 HB3 :: 2.02 HG2 :: 0.64 HG3 :: 0.92 HD2 :: 0.87(S) HD3 :: 1.12 HE3 :: 2.68 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 :: 112.57 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> Q 0.34 E 0.27 K 0.24 M 0.11 C Shift Assignments>> C :: 172.88 CA :: 55.03 CB :: 29.69 CG :: 34.89 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 :: 8.45 HA :: 4.81 HB2 :: 1.47 HB3 :: 2.25 HG2 :: 1.86 HG3 :: 2.20 HE21 :: 6.05 HE22 :: 6.42 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 :: 118.12 NE2 :: 105.93(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.26 A 0.15 C Shift Assignments>> C :: 177.50 CA :: 52.78 CB :: 46.94 CG :: 27.30 CD1 :: 23.29 CD2 :: 24.77 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 :: 8.37 HA :: 4.96 HB3 :: 1.45 HG :: 1.29 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 HD21 :: -0.09 HD22 :: -0.09 HD23 :: -0.09 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 :: 112.83 Ave N Shift Values>> N :: 121.86(3.9) 2.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.3 I 0.15 L 0.07 K 0.06 D 0.04 C Shift Assignments>> C :: 174.99 CA :: 58.98 CB :: 40.56 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 :: 9.92 HA :: 3.84 HB2 :: 2.61 HB3 :: 3.08 HD1 :: 6.58 HE1 :: 7.39 HZ :: 7.52 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.23 Ave N Shift Values>> N :: 120.45(4.18) 2.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.27 F 0.19 E 0.12 M 0.01 V 0.01 C Shift Assignments>> C :: 173.32 CA :: 59.90 CB :: 37.47 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.80 HA :: 3.94 HB2 :: 2.43 HB3 :: 2.60 HD1 :: 6.90 HE1 :: 6.69 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.76 Ave N Shift Values>> N :: 120.52(4.2) 2.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 L 0.03 C Shift Assignments>> C :: 175.44 CA :: 50.90 CB :: 45.46 CG :: 26.14 CD1 :: 24.38 CD2 :: 27.45 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 :: 6.92 HA :: 4.43 HB2 :: 0.62 HB3 :: 1.26 HG :: 1.64 HD11 :: 0.52 HD12 :: 0.52 HD13 :: 0.52 HD21 :: 0.32 HD22 :: 0.32 HD23 :: 0.32 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 :: 125.93 Ave N Shift Values>> N :: 121.86(3.9) 2.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.43 CA :: 62.10 CB :: 34.43 CG :: 25.85 CD :: 50.37 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 :: 4.10 HB2 :: 2.10 HB3 :: 2.16 HG2 :: 1.49 HG3 :: 1.94 HD3 :: 3.38 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 178.03 CA :: 52.16 CB :: 19.01 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.12 HA :: 4.44 HB1 :: 1.16 HB2 :: 1.16 HB3 :: 1.16 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.86 Ave N Shift Values>> N :: 123.23(3.54) 2.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 C Shift Assignments>> C :: 177.37 CA :: 58.73 CB :: 32.20 CG :: 25.61 CD :: 29.04 CE :: 41.85 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.55 HA :: 4.00 HB2 :: 1.69 HB3 :: 1.77 HG2 :: 1.39 HG3 :: 1.49 HD3 :: 1.59 HE2 :: 2.69 HE3 :: 2.79 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 :: 122.67 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.13 G 0.02 HN Overlap>> 2.R88 2.R88 C Shift Assignments>> C :: 174.39 CA :: 54.14 CB :: 33.08 CG :: 24.81 CD :: 29.37 CE :: 42.25 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 :: 8.05 HA :: 4.58 HB2 :: 1.42 HB3 :: 1.88 HG2 :: 1.15 HG3 :: 1.25 HD2 :: 1.55 HD3 :: 1.68 HE2 :: 2.52 HE3 :: 2.79 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 :: 120.66 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.22 L 0.05 F 0.04 Y 0.04 HN Overlap>> 2.V162 2.V162 C Shift Assignments>> C :: 174.96 CA :: 51.70 CB :: 39.26 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 :: 8.35 HA :: 4.82 HB2 :: 2.57 HB3 :: 3.39 HD21 :: 7.00 HD22 :: 7.59 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.26 ND2 :: 111.19 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I30 2.L112 2.Q90 1.I30 2.L112 2.Q90 C Shift Assignments>> C :: 177.27 CA :: 68.10 CB :: 30.96 CG1 :: 21.44 CG2 :: 23.84 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 :: 7.84 HA :: 3.22 HB :: 2.08 HG11 :: 0.36 HG12 :: 0.36 HG13 :: 0.36 HG21 :: 0.15 HG22 :: 0.15 HG23 :: 0.15 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 :: 119.99 Ave N Shift Values>> N :: 121.14(4.54) 2.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.33 I 0.14 L 0.06 D 0.05 K 0.02 C Shift Assignments>> C :: 178.71 CA :: 58.63 CB :: 40.14 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 :: 7.84 HA :: 4.08 HB2 :: 2.44 HB3 :: 2.50 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.81 Ave N Shift Values>> N :: 120.65(3.86) 2.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.40 CA :: 61.43 CB :: 63.50 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.39 HA :: 4.24 HB3 :: 4.03 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.26 Ave N Shift Values>> N :: 116.28(3.52) 2.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A24 1.A24 2.L78 2.L78 C Shift Assignments>> C :: 178.10 CA :: 65.78 CB :: 38.90 CG1 :: 29.71 CG2 :: 17.41 CD1 :: 14.24 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 :: 8.01 HA :: 3.73 HB :: 1.83 HG12 :: 1.89 HG13 :: 0.75 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.98 Ave N Shift Values>> N :: 121.46(4.28) 2.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 HN Overlap>> 2.Y107 2.Y107 C Shift Assignments>> C :: 178.77 CA :: 58.25 CB :: 41.06 CG :: 27.08 CD1 :: 26.67 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 :: 8.41 HA :: 4.06 HB2 :: 1.41 HB3 :: 1.96 HG :: 1.77 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 HD21 :: 0.53 HD22 :: 0.53 HD23 :: 0.53 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.96 Ave N Shift Values>> N :: 121.86(3.9) 2.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.23 K 0.1 Q 0.05 M 0.03 HN Overlap>> 1.I30 1.I30 C Shift Assignments>> C :: 178.74 CA :: 59.27 CB :: 29.61 CG :: 36.28 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 :: 7.95 HA :: 4.04 HB3 :: 2.10 HG3 :: 2.26 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.03 Ave N Shift Values>> N :: 120.67(3.48) 2.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.32 D 0.11 L 0.09 I 0.08 N 0.03 K 0.01 HN Overlap>> 2.E60 2.E60 C Shift Assignments>> C :: 179.98 CA :: 57.32 CB :: 39.74 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 :: 8.41 HA :: 4.37 HB2 :: 2.86 HB3 :: 3.18 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 :: 120.64 Ave N Shift Values>> N :: 120.65(3.86) 2.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 Y 0.25 F 0.2 E 0.02 HN Overlap>> 1.E29 1.E29 2.D142 2.D142 C Shift Assignments>> C :: 176.27 CA :: 60.93 CB :: 38.26 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.26 HA :: 3.41 HB2 :: 2.61 HB3 :: 3.02 HD2 :: 6.49 HE2 :: 6.68 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.01 Ave N Shift Values>> N :: 120.52(4.2) 2.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.28 I 0.05 HN Overlap>> 1.Q6 1.Q6 C Shift Assignments>> C :: 180.18 CA :: 55.52 CB :: 17.76 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.43 HA :: 3.55 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 :: 121.95 Ave N Shift Values>> N :: 123.23(3.54) 2.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.22 N 0.18 D 0.09 E 0.08 I 0.05 L 0.04 M 0.03 C Shift Assignments>> C :: 178.14 CA :: 56.02 CB :: 38.18 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 :: 8.48 HA :: 4.38 HB2 :: 2.77 HB3 :: 2.87 HD21 :: 7.07 HD22 :: 7.73 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.82 ND2 :: 113.49 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 Y 0.26 F 0.2 E 0.03 C Shift Assignments>> C :: 178.25 CA :: 60.63 CB :: 38.06 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.31 HA :: 4.28 HB2 :: 3.17 HB3 :: 3.27 HD2 :: 7.04 HE2 :: 6.94 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 :: 124.37 Ave N Shift Values>> N :: 120.52(4.2) 2.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 E 0.16 W 0.16 Q 0.15 M 0.08 K 0.05 C Shift Assignments>> C :: 179.15 CA :: 56.36 CB :: 30.15 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.28 HA :: 3.59 HB3 :: 1.59 HG2 :: 0.85 HG3 :: 1.12 HD2 :: 1.45 HD3 :: 1.73 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.76 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 C Shift Assignments>> C :: 178.00 CA :: 58.64 CB :: 32.57 CG :: 25.59 CD :: 29.51 CE :: 42.00 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.88 HA :: 4.04 HB3 :: 1.85 HG2 :: 1.40 HG3 :: 1.54 HD3 :: 1.62 HE3 :: 2.84 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.23 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.I24 2.I24 C Shift Assignments>> C :: 174.95 CA :: 59.84 CB :: 63.73 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.67 HA :: 4.31 HB3 :: 3.93 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 :: 114.01 Ave N Shift Values>> N :: 116.28(3.52) 2.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 K 0.15 G 0.05 C Shift Assignments>> C :: 176.84 CA :: 56.04 CB :: 30.56 CG :: 26.76 CD :: 42.90 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.54 HA :: 4.26 HB2 :: 1.59 HB3 :: 1.85 HG3 :: 1.47 HD3 :: 2.89 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.75 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G54 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 :: 173.93 CA :: 45.65 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.93 HA3 :: 3.92 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.86 Ave N Shift Values>> N :: 109.67(3.87) 2.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.22 F 0.09 Y 0.08 L 0.06 HN Overlap>> 2.S132 2.S132 C Shift Assignments>> C :: 175.74 CA :: 53.43 CB :: 39.06 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 :: 8.24 HA :: 4.76 HB2 :: 2.73 HB3 :: 2.79 HD21 :: 6.85 HD22 :: 7.52 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 :: 118.29 ND2 :: 112.29 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.56 CA :: 62.33 CB :: 69.65 CG2 :: 21.81 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 :: 8.06 HA :: 4.27 HB :: 4.25 HG21 :: 1.15 HG22 :: 1.15 HG23 :: 1.15 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 :: 113.06 Ave N Shift Values>> N :: 115.42(4.75) 2.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 F 0.11 N 0.08 Y 0.08 R 0.01 HN Overlap>> 1.E27 1.E27 C Shift Assignments>> C :: 176.10 CA :: 54.72 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 :: 8.32 HA :: 4.55 HB3 :: 2.66 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.27 Ave N Shift Values>> N :: 120.65(3.86) 2.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 Y 0.11 F 0.11 L 0.05 E 0.01 M 0.01 C Shift Assignments>> C :: 175.54 CA :: 53.93 CB :: 38.72 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 :: 8.24 HA :: 4.61 HB2 :: 2.77 HB3 :: 2.85 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 :: 117.76 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 HN Overlap>> 2.L95 2.L95 C Shift Assignments>> C :: 176.84 CA :: 56.83 CB :: 32.66 CG :: 25.15 CD :: 29.07 CE :: 42.09 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 :: 8.16 HA :: 4.24 HB3 :: 1.76 HG2 :: 1.38 HG3 :: 1.43 HD3 :: 1.66 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 :: 120.27 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 I 0.14 K 0.1 M 0.05 Q 0.05 HN Overlap>> 2.D45 2.D45 C Shift Assignments>> C :: 176.69 CA :: 57.98 CB :: 29.76 CG :: 36.52 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 :: 8.34 HA :: 4.07 HB3 :: 1.96 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 :: 120.58 Ave N Shift Values>> N :: 120.67(3.48) 2.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.31 I 0.23 E 0.03 D 0.01 L 0.01 HN Overlap>> 1.Y20 2.V106 1.Y20 2.V106 C Shift Assignments>> C :: 176.25 CA :: 58.84 CB :: 38.62 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 :: 7.83 HA :: 4.40 HB2 :: 2.92 HB3 :: 3.02 HD1 :: 7.03 HE1 :: 6.75 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.98 Ave N Shift Values>> N :: 120.52(4.2) 2.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.25 C Shift Assignments>> C :: 178.32 CA :: 53.42 CB :: 18.48 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.83 HA :: 4.20 HB1 :: 1.25 HB2 :: 1.25 HB3 :: 1.25 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.88 Ave N Shift Values>> N :: 123.23(3.54) 2.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.88 CA :: 66.08 CB :: 31.85 CG1 :: 23.47 CG2 :: 21.11 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 :: 7.82 HA :: 3.40 HB :: 2.01 HG11 :: 0.92 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.62 Ave N Shift Values>> N :: 121.14(4.54) 2.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 E 0.21 F 0.19 N 0.13 M 0.06 I 0.05 D 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 178.16 CA :: 56.28 CB :: 37.52 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 :: 8.21 HA :: 4.28 HB2 :: 2.71 HB3 :: 2.78 HD21 :: 6.92 HD22 :: 7.57 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 :: 117.09 ND2 :: 112.00 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 E 0.16 R 0.12 H 0.12 K 0.11 Q 0.1 I 0.09 V 0.03 M 0.03 HN Overlap>> 1.L25 1.L25 C Shift Assignments>> C :: 179.21 CA :: 59.34 CB :: 29.71 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 :: 7.85 HA :: 4.07 HB3 :: 2.05 HG3 :: 2.25 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 :: 119.81 Ave N Shift Values>> N :: 120.67(3.48) 2.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.81 CA :: 66.69 CB :: 31.65 CG1 :: 20.79 CG2 :: 22.98 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 :: 7.85 HA :: 3.63 HB :: 2.10 HG11 :: 0.90 HG12 :: 0.90 HG13 :: 0.90 HG21 :: 0.70 HG22 :: 0.70 HG23 :: 0.70 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.09 Ave N Shift Values>> N :: 121.14(4.54) 2.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.36 CA :: 66.88 CB :: 31.61 CG1 :: 22.11 CG2 :: 22.23 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.28 HA :: 3.53 HB :: 2.18 HG11 :: 1.13 HG12 :: 1.13 HG13 :: 1.13 HG21 :: 1.01 HG22 :: 1.01 HG23 :: 1.01 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 :: 116.82 Ave N Shift Values>> N :: 121.14(4.54) 2.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.03 C Shift Assignments>> C :: 180.56 CA :: 55.14 CB :: 18.23 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.60 HA :: 3.99 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 :: 120.58 Ave N Shift Values>> N :: 123.23(3.54) 2.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.00 CA :: 47.01 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.96 HA2 :: 3.24 HA3 :: 3.56 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.19 Ave N Shift Values>> N :: 109.67(3.87) 2.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.A152 2.A152 C Shift Assignments>> C :: 177.08 CA :: 66.48 CB :: 37.87 CG1 :: 29.59 CG2 :: 18.07 CD1 :: 13.23 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 :: 8.37 HA :: 3.36 HB :: 1.59 HG12 :: 1.88 HG13 :: 0.61 HG21 :: 0.56 HG22 :: 0.56 HG23 :: 0.56 HD11 :: 0.25 HD12 :: 0.25 HD13 :: 0.25 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 :: 121.04 Ave N Shift Values>> N :: 121.46(4.28) 2.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.02 C Shift Assignments>> C :: 177.32 CA :: 61.02 CB :: 32.57 CG :: 25.86 CE :: 41.91 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 :: 7.88 HA :: 3.47 HB2 :: 1.78 HB3 :: 1.83 HG3 :: 1.39 HD3 :: 1.27 HE3 :: 2.83 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.09 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.14 K 0.13 I 0.13 Q 0.11 H 0.1 R 0.1 V 0.02 M 0.02 C Shift Assignments>> C :: 179.49 CA :: 59.50 CB :: 29.25 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 :: 7.91 HA :: 4.11 HB2 :: 1.83 HB3 :: 1.92 HG2 :: 2.03 HG3 :: 2.20 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.28 Ave N Shift Values>> N :: 120.67(3.48) 2.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 Y 0.13 F 0.1 V 0.01 E 0.01 C Shift Assignments>> C :: 178.13 CA :: 62.55 CB :: 37.76 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 :: 8.38 HA :: 3.98 HB2 :: 2.80 HB3 :: 2.94 HD2 :: 6.95 HE2 :: 6.45 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.00 Ave N Shift Values>> N :: 120.52(4.2) 2.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 Y 0.08 F 0.07 C Shift Assignments>> C :: 175.84 CA :: 63.97 CB :: 38.94 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 :: 8.81 HA :: 3.58 HB2 :: 2.93 HB3 :: 3.10 HD2 :: 6.94 HE2 :: 6.80 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 :: 118.73 Ave N Shift Values>> N :: 120.45(4.18) 2.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.21 N 0.17 E 0.13 D 0.06 I 0.05 M 0.04 L 0.02 C Shift Assignments>> C :: 179.07 CA :: 56.05 CB :: 37.88 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 :: 8.57 HA :: 4.56 HB2 :: 2.82 HB3 :: 2.93 HD21 :: 6.76 HD22 :: 7.40 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 :: 114.68 ND2 :: 109.60 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.28 CA :: 63.62 CB :: 32.81 CG1 :: 22.07 CG2 :: 21.62 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 :: 7.86 HA :: 4.23 HB :: 2.06 HG11 :: 0.98 HG12 :: 0.98 HG13 :: 0.98 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 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 :: 116.79 Ave N Shift Values>> N :: 121.14(4.54) 2.M77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.92 A 0.06 C Shift Assignments>> C :: 177.59 CA :: 57.14 CB :: 34.62 CG :: 33.05 CE :: 16.76 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.00 HA :: 4.43 HB3 :: 1.76 HG2 :: 2.30 HG3 :: 2.55 HE1 :: 1.68 HE2 :: 1.68 HE3 :: 1.68 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.92 Ave N Shift Values>> N :: 120.09(3.57) 2.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 V 0.17 A 0.15 HN Overlap>> 1.A24 2.I42 1.A24 2.I42 C Shift Assignments>> C :: 178.02 CA :: 58.02 CB :: 38.17 CG :: 27.73 CD1 :: 21.83 CD2 :: 23.32 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.95 HA :: 3.25 HB2 :: 0.64 HB3 :: 1.11 HG :: 0.78 HD11 :: 0.01 HD12 :: 0.01 HD13 :: 0.01 HD21 :: -0.01 HD22 :: -0.01 HD23 :: -0.01 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.98 Ave N Shift Values>> N :: 121.86(3.9) 2.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 175.12 CA :: 45.14 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.24 HA2 :: 2.90 HA3 :: 3.41 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 99.63 Ave N Shift Values>> N :: 109.67(3.87) 2.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.37 CA :: 62.24 CB :: 68.36 CG2 :: 23.56 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 :: 7.18 HA :: 4.24 HB :: 4.00 HG21 :: 1.10 HG22 :: 1.10 HG23 :: 1.10 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.70 Ave N Shift Values>> N :: 115.42(4.75) 2.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 E 0.15 Q 0.13 C Shift Assignments>> C :: 177.59 CA :: 56.86 CB :: 33.48 CG :: 34.60 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 :: 8.31 HA :: 5.11 HB3 :: 1.69 HG3 :: 2.33 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.89 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 A 0.25 C Shift Assignments>> C :: 174.41 CA :: 54.25 CB :: 40.83 CG :: 25.93 CD1 :: 25.36 CD2 :: 21.99 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.17 HA :: 4.50 HB2 :: 1.37 HB3 :: 1.79 HG :: 1.40 HD11 :: 0.56 HD12 :: 0.56 HD13 :: 0.56 HD21 :: 0.53 HD22 :: 0.53 HD23 :: 0.53 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 :: 113.89 Ave N Shift Values>> N :: 121.86(3.9) 2.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.26 A 0.22 R 0.1 C Shift Assignments>> C :: 179.77 CA :: 53.62 CB :: 43.21 CG :: 24.98 CD1 :: 22.94 CD2 :: 26.86 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 :: 7.51 HA :: 4.48 HB2 :: 1.26 HB3 :: 1.41 HG :: 1.62 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 HD21 :: 0.23 HD22 :: 0.23 HD23 :: 0.23 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 :: 116.06 Ave N Shift Values>> N :: 121.86(3.9) 2.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 I 0.32 F 0.3 L 0.01 C Shift Assignments>> C :: 178.30 CA :: 59.88 CB :: 39.20 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.72 HA :: 4.73 HB2 :: 2.74 HB3 :: 2.98 HD2 :: 7.42 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 :: 125.68 Ave N Shift Values>> N :: 120.52(4.2) 2.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.17 G 0.02 C Shift Assignments>> C :: 180.12 CA :: 60.89 CB :: 32.56 CG :: 25.34 CD :: 29.52 CE :: 42.21 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 :: 9.13 HA :: 3.98 HB2 :: 1.92 HB3 :: 2.05 HG3 :: 1.52 HD3 :: 1.79 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 :: 124.13 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 I 0.3 Y 0.28 K 0.04 L 0.02 C Shift Assignments>> C :: 175.99 CA :: 60.46 CB :: 40.58 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 :: 8.95 HA :: 4.45 HB2 :: 2.56 HB3 :: 3.47 HD1 :: 7.30 HE1 :: 7.04 HZ :: 6.80 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.68 Ave N Shift Values>> N :: 120.45(4.18) 2.E87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.25 K 0.23 M 0.23 R 0.07 H 0.06 W 0.05 V 0.03 E 0.02 C Shift Assignments>> C :: 177.68 CA :: 57.06 CB :: 33.64 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 :: 7.98 HA :: 4.16 HB2 :: 2.70 HB3 :: 2.75(S) HG3 :: 2.93 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 :: 112.17 Ave N Shift Values>> N :: 120.67(3.48) 2.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 K 0.21 R 0.16 L 0.03 HN Overlap>> 1.M19 2.K37 1.M19 2.K37 C Shift Assignments>> C :: 175.35 CA :: 62.51 CB :: 27.01 CG :: 28.71 CD :: 42.86 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.00 HA :: 4.26 HB2 :: 2.02 HB3 :: 2.26 HG2 :: 1.59 HG3 :: 2.08 HD2 :: 3.21 HD3 :: 3.30 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.68 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.46 V 0.4 P 0.1 W 0.01 C Shift Assignments>> C :: 178.44 CA :: 66.38 CB :: 29.66 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.36 HB3 :: 1.98 HG2 :: 1.52 HG3 :: 1.71 HD2 :: 3.63 HD3 :: 3.74 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 K 0.16 I 0.13 E 0.13 Q 0.13 H 0.1 R 0.09 L 0.02 M 0.01 HN Overlap>> 1.I30 2.L112 1.I30 2.L112 2.V39 2.V39 C Shift Assignments>> C :: 177.29 CA :: 58.90 CB :: 28.54 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 :: 7.78 HA :: 4.21 HB3 :: 2.17 HG3 :: 2.51 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.97 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.31 F 0.29 L 0.01 C Shift Assignments>> C :: 176.17 CA :: 60.08 CB :: 39.12 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 :: 7.93 HA :: 4.45 HB2 :: 3.12 HB3 :: 3.25 HD1 :: 7.17 HE1 :: 6.80 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.29 Ave N Shift Values>> N :: 120.52(4.2) 2.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.03 HN Overlap>> 2.Y139 2.Y139 C Shift Assignments>> C :: 181.10 CA :: 55.12 CB :: 17.93 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.19 HA :: 3.68 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.66 Ave N Shift Values>> N :: 123.23(3.54) 2.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.31 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.65 CA :: 59.37 CB :: 29.53 CG :: 36.66 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 :: 7.75 HA :: 3.97 HB3 :: 2.13 HG2 :: 2.18 HG3 :: 2.42 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 :: 118.13 Ave N Shift Values>> N :: 120.67(3.48) 2.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.Y167 2.Y167 C Shift Assignments>> C :: 178.59 CA :: 62.68 CB :: 36.39 CG1 :: 28.28 CG2 :: 18.88 CD1 :: 11.65 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 :: 8.07 HA :: 3.96 HB :: 2.31 HG12 :: 1.51 HG13 :: 1.41 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.43 Ave N Shift Values>> N :: 121.46(4.28) 2.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.02 G 0.01 HN Overlap>> 1.M22 1.M22 2.K59 2.K59 C Shift Assignments>> C :: 179.37 CA :: 57.35 CB :: 42.14 CG :: 26.63 CD1 :: 24.70 CD2 :: 23.53 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.17 HA :: 3.79 HB2 :: 1.26 HB3 :: 1.33 HG :: 1.26 HD11 :: 0.59 HD12 :: 0.59 HD13 :: 0.59 HD21 :: 0.70 HD22 :: 0.70 HD23 :: 0.70 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.38 Ave N Shift Values>> N :: 121.86(3.9) 2.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.37 I 0.01 C Shift Assignments>> C :: 179.49 CA :: 54.28 CB :: 18.40 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.25 HA :: 3.99 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 :: 118.38 Ave N Shift Values>> N :: 123.23(3.54) 2.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.2 F 0.1 Y 0.07 R 0.06 N 0.03 C Shift Assignments>> C :: 176.38 CA :: 55.27 CB :: 41.76 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 :: 7.67 HA :: 4.46 HB2 :: 2.17 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 :: 115.51 Ave N Shift Values>> N :: 120.65(3.86) 2.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 H 0.19 K 0.16 W 0.13 R 0.12 E 0.08 M 0.05 L 0.05 C Shift Assignments>> C :: 172.31 CA :: 53.44 CB :: 28.91 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.96 HA :: 4.91 HB2 :: 2.99 HB3 :: 3.06 HD2 :: 7.10 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.05 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.57 CA :: 64.94 CB :: 31.94 CG :: 27.47 CD :: 50.31 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 :: 1.87 HB3 :: 2.25 HG2 :: 1.84 HG3 :: 1.94 HD2 :: 3.26 HD3 :: 3.43 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.13 K 0.09 F 0.08 Y 0.06 R 0.01 C Shift Assignments>> C :: 175.51 CA :: 53.87 CB :: 41.15 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 :: 8.41 HA :: 4.59 HB2 :: 2.64 HB3 :: 2.71 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 :: 115.67 Ave N Shift Values>> N :: 120.65(3.86) 2.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.02 C Shift Assignments>> C :: 175.15 CA :: 50.06 CB :: 19.36 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 :: 4.63 HB1 :: 1.23 HB2 :: 1.23 HB3 :: 1.23 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.36 Ave N Shift Values>> N :: 123.23(3.54) 2.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.56 CA :: 61.89 CB :: 31.93 CG :: 27.82 CD :: 50.54 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 :: 4.59 HB2 :: 2.07 HB3 :: 2.33 HG3 :: 2.05 HD2 :: 3.56 HD3 :: 3.90 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.M103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 M 0.17 A 0.11 K 0.01 C Shift Assignments>> C :: 180.23 CA :: 57.47 CB :: 34.00 CE :: 21.02 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.86 HA :: 4.91 HG2 :: 2.85 HG3 :: 3.13 HE1 :: 2.19 HE2 :: 2.19 HE3 :: 2.19 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.68 Ave N Shift Values>> N :: 120.09(3.57) 2.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 T 0.21 V 0.2 P 0.06 F 0.05 Y 0.05 S 0.05 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 174.35 CA :: 61.50 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.16 HA :: 3.94 HB3 :: 3.81 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 :: 118.13 Ave N Shift Values>> N :: 116.28(3.52) 2.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 E 0.29 K 0.19 M 0.17 HN Overlap>> 2.V117 2.V117 C Shift Assignments>> C :: 176.57 CA :: 55.80 CB :: 30.13 CG :: 34.85 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.86 HA :: 4.54 HB2 :: 2.13 HB3 :: 2.27 HG3 :: 2.41 HE21 :: 6.78 HE22 :: 7.86 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 :: 119.22 NE2 :: 111.76 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y20 1.Y20 2.Y61 2.Y61 C Shift Assignments>> C :: 174.30 CA :: 64.66 CB :: 34.89 CG1 :: 21.18 CG2 :: 22.76 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.77 HA :: 3.95 HB :: 2.26 HG11 :: 0.80 HG12 :: 0.80 HG13 :: 0.80 HG21 :: 0.61 HG22 :: 0.61 HG23 :: 0.61 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 :: 119.07 Ave N Shift Values>> N :: 121.14(4.54) 2.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.26 I 0.18 K 0.12 L 0.05 D 0.01 R 0.01 HN Overlap>> 2.L43 2.L43 C Shift Assignments>> C :: 174.51 CA :: 59.91 CB :: 41.13 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 :: 8.38 HA :: 4.12 HB2 :: 2.82 HB3 :: 2.95 HD2 :: 6.46 HE2 :: 6.58 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.98 Ave N Shift Values>> N :: 120.52(4.2) 2.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.21 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.96 CA :: 44.67 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.60 HA2 :: 3.58 HA3 :: 4.37 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.19 Ave N Shift Values>> N :: 109.67(3.87) 2.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 I 0.14 A 0.06 C Shift Assignments>> C :: 175.66 CA :: 56.83 CB :: 16.75 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.10 HA :: 3.79 HB1 :: 0.94 HB2 :: 0.94 HB3 :: 0.94 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.43 Ave N Shift Values>> N :: 123.23(3.54) 2.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.32 CA :: 67.40 CB :: 31.75 CD :: 50.02 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 HB3 :: 1.56 HG3 :: 2.21 HD2 :: 3.44 HD3 :: 3.58 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 V 0.35 I 0.11 W 0.05 R 0.01 C Shift Assignments>> C :: 176.58 CA :: 63.36 CB :: 30.70 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.96 HA :: 3.65 HB3 :: 2.92 HD2 :: 6.70 HE1 :: 7.45 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 :: 115.18 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.27 A 0.02 K 0.01 HN Overlap>> 1.I30 1.I30 2.Q90 2.V39 2.Q90 2.V39 C Shift Assignments>> C :: 177.69 CA :: 57.80 CB :: 41.36 CG :: 27.72 CD1 :: 27.26 CD2 :: 22.26 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 :: 4.07 HB2 :: 1.21 HB3 :: 2.26 HG :: 1.79 HD11 :: 1.09 HD12 :: 1.09 HD13 :: 1.09 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 :: 119.98 Ave N Shift Values>> N :: 121.86(3.9) 2.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 L 0.39 I 0.02 R 0.02 C Shift Assignments>> C :: 179.25 CA :: 58.24 CB :: 41.76 CD1 :: 24.34 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 :: 8.29 HA :: 4.36 HB2 :: 1.56 HB3 :: 2.17 HG :: 1.73 HD11 :: 0.90 HD12 :: 0.90 HD13 :: 0.90 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.48 Ave N Shift Values>> N :: 121.86(3.9) 2.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 V 0.18 R 0.12 E 0.11 H 0.09 K 0.08 M 0.05 Q 0.05 I 0.03 P 0.03 C Shift Assignments>> C :: 178.65 CA :: 60.16 CB :: 31.17 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.69 HA :: 3.71 HB2 :: 1.05 HB3 :: 1.78 HG3 :: 1.66 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.37 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 K 0.4 R 0.02 C Shift Assignments>> C :: 178.55 CA :: 58.41 CB :: 41.20 CD1 :: 25.34 CD2 :: 26.72 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 :: 7.43 HA :: 3.88 HB2 :: 1.41 HB3 :: 2.45 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 HD21 :: 0.60 HD22 :: 0.60 HD23 :: 0.60 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 :: 116.45 Ave N Shift Values>> N :: 121.86(3.9) 2.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.6 Y 0.2 F 0.17 C Shift Assignments>> C :: 176.03 CA :: 61.70 CB :: 38.59 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>> HA :: 3.94 HB3 :: 3.13 HD1 :: 7.52 HE1 :: 7.25 HZ :: 7.09 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) 2.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.Q105 2.D20 2.Q105 2.D20 C Shift Assignments>> C :: 176.52 CA :: 64.64 CB :: 32.10 CG1 :: 23.93 CG2 :: 21.98 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 :: 7.92 HA :: 3.97 HB :: 2.69 HG11 :: 1.18 HG12 :: 1.18 HG13 :: 1.18 HG21 :: 1.06 HG22 :: 1.06 HG23 :: 1.06 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 :: 119.19 Ave N Shift Values>> N :: 121.14(4.54) 2.R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.3 G 0.01 C Shift Assignments>> C :: 177.63 CA :: 55.01 CB :: 32.46 CD :: 42.06 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.97 HA :: 4.67 HB3 :: 1.48 HG2 :: 1.69 HG3 :: 1.75 HD2 :: 3.29 HD3 :: 3.34 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.41 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.84 CA :: 64.92 CB :: 37.37 CG1 :: 29.42 CG2 :: 17.49 CD1 :: 12.82 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 :: 8.27 HA :: 3.58 HB :: 1.59 HG12 :: 1.03 HG13 :: 0.81 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 HD11 :: 0.23 HD12 :: 0.23 HD13 :: 0.23 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.21 Ave N Shift Values>> N :: 121.46(4.28) 2.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.04 A 0.03 P 0.03 N 0.01 C Shift Assignments>> C :: 176.00 CA :: 47.49 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.92 HA2 :: 3.43 HA3 :: 4.04 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.29 Ave N Shift Values>> N :: 109.67(3.87) 2.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.4 I 0.01 C Shift Assignments>> C :: 179.66 CA :: 54.50 CB :: 18.43 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.73 HA :: 4.16 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.63 Ave N Shift Values>> N :: 123.23(3.54) 2.M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 A 0.21 C Shift Assignments>> C :: 179.83 CA :: 56.34 CB :: 32.45 CG :: 32.23 CE :: 18.40 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.18 HA :: 4.46 HB2 :: 1.60 HB3 :: 1.89 HG2 :: 2.36 HG3 :: 2.60 HE1 :: 1.90 HE2 :: 1.90 HE3 :: 1.90 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.38 Ave N Shift Values>> N :: 120.09(3.57) 2.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.82 R 0.13 A 0.03 C Shift Assignments>> C :: 178.03 CA :: 56.91 CB :: 41.71 CG :: 27.22 CD1 :: 22.59 CD2 :: 25.76 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 :: 8.15 HA :: 4.10 HB3 :: 1.75 HG :: 1.66 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.53 HD22 :: 0.53 HD23 :: 0.53 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 2.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.26 HN Overlap>> 1.I46 1.I46 C Shift Assignments>> C :: 177.80 CA :: 54.03 CB :: 18.89 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.19 HA :: 4.03 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 :: 118.88 Ave N Shift Values>> N :: 123.23(3.54) 2.Y125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.33 I 0.2 D 0.02 L 0.02 E 0.01 C Shift Assignments>> C :: 175.83 CA :: 58.64 CB :: 38.92 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 :: 7.36 HA :: 4.44 HB2 :: 2.89 HB3 :: 3.41 HD1 :: 7.31 HE1 :: 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 :: 113.84 Ave N Shift Values>> N :: 120.52(4.2) 2.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 170.91 CA :: 59.83 CB :: 70.09 CG2 :: 21.56 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 :: 7.54 HA :: 4.09 HB :: 4.19 HG21 :: 1.27 HG22 :: 1.27 HG23 :: 1.27 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.39 Ave N Shift Values>> N :: 115.42(4.75) 2.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.36 V 0.32 I 0.15 W 0.08 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.03 CA :: 63.00 CB :: 30.51 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 :: 4.62 HB2 :: 2.04 HB3 :: 2.11 HD3 :: 3.71 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.44 R 0.09 A 0.01 C Shift Assignments>> C :: 176.61 CA :: 54.93 CB :: 44.60 CG :: 27.39 CD1 :: 23.79 CD2 :: 26.17 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.64 HA :: 4.36 HB2 :: 1.39 HB3 :: 1.57 HG :: 1.61 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.75 HD22 :: 0.75 HD23 :: 0.75 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.89 Ave N Shift Values>> N :: 121.86(3.9) 2.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.26 K 0.11 N 0.1 F 0.06 R 0.04 Y 0.04 HN Overlap>> 2.K145 2.L136 2.K145 2.L136 C Shift Assignments>> C :: 175.52 CA :: 53.08 CB :: 41.73 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 :: 8.08 HA :: 4.55 HB2 :: 2.71 HB3 :: 3.01 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.84 Ave N Shift Values>> N :: 120.65(3.86) 2.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.39 K 0.05 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.19 CA :: 60.42 CB :: 29.82 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 :: 8.66 HA :: 3.89 HB3 :: 2.04 HG2 :: 2.28 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 :: 119.03 Ave N Shift Values>> N :: 120.67(3.48) 2.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 G 0.01 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 179.58 CA :: 59.41 CB :: 32.06 CG :: 25.36 CD :: 29.21 CE :: 42.01 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.21 HA :: 4.11 HB2 :: 1.82 HB3 :: 1.91 HG2 :: 1.41 HG3 :: 1.52 HD3 :: 1.68 HE3 :: 2.97 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 :: 119.53 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.N55 2.N55 C Shift Assignments>> C :: 176.23 CA :: 62.34 CB :: 62.81 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33 HA :: 4.19 HB2 :: 3.81 HB3 :: 3.92 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.26 Ave N Shift Values>> N :: 116.28(3.52) 2.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.07 C Shift Assignments>> C :: 177.60 CA :: 58.04 CB :: 41.56 CG :: 27.24 CD1 :: 25.70 CD2 :: 23.86 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 :: 8.61 HA :: 3.95 HB2 :: 1.43 HB3 :: 1.71 HG :: 1.54 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.83 HD22 :: 0.83 HD23 :: 0.83 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.82 Ave N Shift Values>> N :: 121.86(3.9) 2.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.33 I 0.04 C Shift Assignments>> C :: 180.62 CA :: 55.38 CB :: 17.94 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.74 HA :: 4.00 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.58 Ave N Shift Values>> N :: 123.23(3.54) 2.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 G 0.01 C Shift Assignments>> C :: 178.47 CA :: 58.07 CB :: 42.20 CG :: 27.14 CD1 :: 24.81 CD2 :: 24.85 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 :: 7.55 HA :: 4.06 HB3 :: 1.74 HG :: 1.67 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 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 :: 118.86 Ave N Shift Values>> N :: 121.86(3.9) 2.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 K 0.25 Y 0.19 L 0.12 I 0.06 D 0.05 R 0.05 HN Overlap>> 2.K145 2.K145 2.D129 2.D129 C Shift Assignments>> C :: 179.16 CA :: 58.49 CB :: 41.58 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 :: 8.05 HA :: 3.98 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.79 Ave N Shift Values>> N :: 121.86(3.9) 2.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> C :: 179.30 CA :: 58.41 CB :: 41.31 CG :: 27.33 CD1 :: 25.36 CD2 :: 23.44 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 :: 8.78 HA :: 3.74 HB2 :: 1.47 HB3 :: 1.84 HG :: 1.69 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 HD21 :: 0.68 HD22 :: 0.68 HD23 :: 0.68 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.85 Ave N Shift Values>> N :: 121.86(3.9) 2.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.27 N 0.08 I 0.08 E 0.07 D 0.07 L 0.03 M 0.02 C Shift Assignments>> C :: 178.96 CA :: 56.85 CB :: 38.34 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 :: 7.96 HA :: 4.53 HB2 :: 2.88 HB3 :: 2.98 HD21 :: 6.83 HD22 :: 7.11 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 :: 118.41 ND2 :: 111.30 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Y139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 Y 0.2 F 0.18 HN Overlap>> 2.K145 2.A92 2.K145 2.A92 C Shift Assignments>> C :: 179.00 CA :: 61.82 CB :: 38.81 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 :: 4.48 HB2 :: 3.14 HB3 :: 3.25 HD2 :: 7.28 HE2 :: 6.69 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.75 Ave N Shift Values>> N :: 120.52(4.2) 2.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.02 A 0.02 C Shift Assignments>> C :: 179.32 CA :: 58.66 CB :: 40.81 CG :: 26.19 CD1 :: 22.15 CD2 :: 26.20 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.00 HA :: 4.13 HB2 :: 1.33 HB3 :: 1.97 HG :: 2.09 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 HD21 :: 0.71 HD22 :: 0.71 HD23 :: 0.71 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.49 Ave N Shift Values>> N :: 121.86(3.9) 2.H141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 W 0.17 K 0.1 E 0.08 Q 0.06 H 0.06 R 0.06 P 0.04 V 0.02 C Shift Assignments>> C :: 177.94 CA :: 60.61 CB :: 28.51 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.60 HA :: 4.34 HB3 :: 3.27 HD2 :: 6.99 HE1 :: 7.67 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 :: 116.93 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.2 F 0.17 L 0.15 Y 0.12 D 0.03 I 0.02 G 0.01 HN Overlap>> 2.Y46 2.Y46 C Shift Assignments>> C :: 178.46 CA :: 58.50 CB :: 42.63 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 :: 8.23 HA :: 4.43 HB2 :: 2.87 HB3 :: 3.15 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.09 Ave N Shift Values>> N :: 120.65(3.86) 2.F143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 Y 0.24 F 0.19 E 0.02 C Shift Assignments>> C :: 177.48 CA :: 61.05 CB :: 38.17 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 :: 8.48 HA :: 3.89 HB2 :: 2.65 HB3 :: 2.94 HD1 :: 6.07 HE1 :: 6.90 HZ :: 6.99 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 :: 121.33 Ave N Shift Values>> N :: 120.45(4.18) 2.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.22 G 0.01 HN Overlap>> 2.K149 2.K149 C Shift Assignments>> C :: 178.51 CA :: 58.31 CB :: 41.81 CG :: 27.54 CD1 :: 26.44 CD2 :: 23.20 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.09 HA :: 3.40 HB3 :: 1.77 HG :: 1.06 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 HD21 :: 0.15 HD22 :: 0.15 HD23 :: 0.15 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 :: 118.98 Ave N Shift Values>> N :: 121.86(3.9) 2.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 HN Overlap>> 2.L136 2.D129 2.Y139 2.L136 2.D129 2.Y139 C Shift Assignments>> C :: 178.81 CA :: 59.80 CB :: 31.94 CG :: 25.51 CD :: 29.59 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 :: 8.08 HA :: 3.88 HB3 :: 2.01 HG2 :: 1.37 HG3 :: 1.57 HD3 :: 1.72 HE3 :: 2.96 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.83 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 Y 0.17 F 0.13 E 0.02 V 0.01 C Shift Assignments>> C :: 178.21 CA :: 62.01 CB :: 37.82 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 :: 3.89 HB2 :: 3.12 HB3 :: 3.25 HD1 :: 6.29 HE1 :: 6.40 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.28 Ave N Shift Values>> N :: 120.52(4.2) 2.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 C Shift Assignments>> C :: 178.25 CA :: 57.80 CB :: 41.71 CG :: 25.60 CD1 :: 26.08 CD2 :: 23.09 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 :: 7.94 HA :: 3.42 HB2 :: 1.14 HB3 :: 1.81 HG :: 1.16 HD11 :: 0.61 HD12 :: 0.61 HD13 :: 0.61 HD21 :: 0.56 HD22 :: 0.56 HD23 :: 0.56 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.38 Ave N Shift Values>> N :: 121.86(3.9) 2.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.04 C Shift Assignments>> C :: 180.70 CA :: 55.39 CB :: 18.41 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16 HA :: 3.75 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 :: 118.58 Ave N Shift Values>> N :: 123.23(3.54) 2.K149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 HN Overlap>> 2.L144 2.L144 C Shift Assignments>> C :: 177.75 CA :: 58.44 CB :: 32.30 CG :: 24.66 CD :: 29.14 CE :: 41.98 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 :: 8.16 HA :: 4.00 HB2 :: 1.67 HB3 :: 1.77 HG2 :: 1.38 HG3 :: 1.44 HD3 :: 1.60 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 :: 118.99 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.5 D 0.24 F 0.08 Y 0.07 L 0.07 C Shift Assignments>> C :: 175.39 CA :: 53.20 CB :: 39.22 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 :: 7.11 HA :: 4.78 HB2 :: 1.78(S) HB3 :: 2.62 HD21 :: 5.95 HD22 :: 6.21 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.03 ND2 :: 115.43 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.61 CA :: 62.43 CB :: 63.19 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.37 HA :: 3.92 HB3 :: 4.20 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.18 Ave N Shift Values>> N :: 116.28(3.52) 2.A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.35 I 0.01 HN Overlap>> 2.I70 2.I70 C Shift Assignments>> C :: 179.51 CA :: 54.45 CB :: 18.66 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.42 HA :: 4.33 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.04 Ave N Shift Values>> N :: 123.23(3.54) 2.T153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.35 CA :: 62.38 CB :: 69.39 CG2 :: 22.00 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 :: 7.36 HA :: 4.28 HB :: 4.12 HG21 :: 1.11 HG22 :: 1.11 HG23 :: 1.11 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 :: 106.30 Ave N Shift Values>> N :: 115.42(4.75) 2.L154 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.58 L 0.28 R 0.08 A 0.05 C Shift Assignments>> C :: 176.14 CA :: 55.74 CB :: 44.74 CG :: 26.84 CD1 :: 22.68 CD2 :: 26.77 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 :: 7.22 HA :: 4.07 HB2 :: 0.23(S) HB3 :: 0.96 HG :: 1.47 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.52 HD22 :: 0.52 HD23 :: 0.52 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.53 Ave N Shift Values>> N :: 121.86(3.9) 2.F155 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.3 F 0.25 N 0.14 D 0.08 E 0.07 I 0.06 L 0.04 M 0.02 C Shift Assignments>> C :: 173.79 CA :: 56.35 CB :: 38.29 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.47 HA :: 4.25 HB2 :: 1.26(S) HB3 :: 1.74 HD2 :: 6.78 HE2 :: 6.84 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.48 Ave N Shift Values>> N :: 120.45(4.18) 2.S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.56 CA :: 57.07 CB :: 64.98 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.91 HA :: 4.62 HB2 :: 3.54 HB3 :: 3.78 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.09 Ave N Shift Values>> N :: 116.28(3.52) 2.A157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.46 I 0.02 C Shift Assignments>> C :: 179.26 CA :: 54.75 CB :: 18.31 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.44 HA :: 4.42 HB1 :: 1.54 HB2 :: 1.54 HB3 :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.78 Ave N Shift Values>> N :: 123.23(3.54) 2.S158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.66 CA :: 60.43 CB :: 62.99 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.45 HA :: 4.47 HB3 :: 3.93 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 :: 112.53 Ave N Shift Values>> N :: 116.28(3.52) 2.D159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.19 D 0.17 R 0.16 F 0.09 Y 0.06 N 0.01 C Shift Assignments>> C :: 172.05 CA :: 55.54 CB :: 42.35 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.51 HA :: 4.54 HB2 :: 2.49 HB3 :: 2.70 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.18 Ave N Shift Values>> N :: 120.65(3.86) 2.Y160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 D 0.18 L 0.17 K 0.08 N 0.04 I 0.03 C Shift Assignments>> C :: 174.94 CA :: 56.66 CB :: 40.59 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 :: 7.60 HA :: 5.14 HB2 :: 2.75 HB3 :: 3.03 HD2 :: 7.11 HE2 :: 7.15 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 :: 118.49 Ave N Shift Values>> N :: 120.52(4.2) 2.E161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 E 0.27 Q 0.02 C Shift Assignments>> C :: 175.94 CA :: 54.49 CB :: 33.97 CG :: 36.12 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.98 HA :: 4.70 HB2 :: 1.87 HB3 :: 1.94 HG3 :: 2.22 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.91 Ave N Shift Values>> N :: 120.67(3.48) 2.V162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.N38 2.N38 C Shift Assignments>> C :: 175.97 CA :: 64.01 CB :: 32.56 CG1 :: 21.79 CG2 :: 21.23 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 :: 8.44 HA :: 3.81 HB :: 2.03 HG11 :: 1.06 HG12 :: 1.06 HG13 :: 1.06 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 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 :: 122.23 Ave N Shift Values>> N :: 121.14(4.54) 2.A163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.09 C Shift Assignments>> C :: 175.34 CA :: 50.48 CB :: 18.00 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.37 HA :: 4.50 HB1 :: 1.29 HB2 :: 1.29 HB3 :: 1.29 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.58 Ave N Shift Values>> N :: 123.23(3.54) 2.P164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.54 CA :: 62.02 CB :: 31.05 CG :: 27.87 CD :: 50.47 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 :: 4.86 HB2 :: 2.29 HB3 :: 2.48 HG2 :: 2.03 HG3 :: 2.22 HD2 :: 3.44 HD3 :: 3.90 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.P165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.31 CA :: 66.03 CB :: 32.12 CG :: 28.00 CD :: 50.52 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 :: 4.24 HB2 :: 1.94 HB3 :: 2.39 HG2 :: 2.07 HG3 :: 2.20 HD2 :: 3.82 HD3 :: 3.93 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.37 K 0.09 Q 0.03 C Shift Assignments>> C :: 178.08 CA :: 59.17 CB :: 28.72 CG :: 36.59 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 :: 9.36 HA :: 4.04 HB3 :: 2.03 HG2 :: 2.27 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 :: 115.67 Ave N Shift Values>> N :: 120.67(3.48) 2.Y167 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.51 Y 0.23 F 0.23 HN Overlap>> 2.I94 2.I94 C Shift Assignments>> C :: 177.51 CA :: 61.44 CB :: 39.55 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 :: 8.04 HA :: 3.90 HB3 :: 3.04 HD2 :: 6.62 HE2 :: 5.88(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.48 Ave N Shift Values>> N :: 120.52(4.2) 2.H168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 R 0.14 E 0.13 V 0.12 H 0.11 K 0.1 M 0.07 Q 0.06 I 0.02 P 0.01 C Shift Assignments>> C :: 177.45 CA :: 59.58 CB :: 31.20 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.64 HA :: 4.21 HB3 :: 3.28 HD2 :: 7.23 HE1 :: 7.75 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.79 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.R169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.12 K 0.09 C Shift Assignments>> C :: 177.11 CA :: 57.75 CB :: 30.37 CG :: 27.58 CD :: 43.47 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.48 HA :: 4.17 HB2 :: 1.81 HB3 :: 1.89 HG3 :: 1.66 HD3 :: 3.19 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.69 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 C Shift Assignments>> C :: 176.34 CA :: 56.88 CB :: 33.22 CG :: 25.19 CD :: 29.56 CE :: 42.00 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.34 HA :: 4.20 HB2 :: 1.54 HB3 :: 1.62 HG3 :: 1.34 HD2 :: 1.45 HD3 :: 1.57 HE2 :: 2.77 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 :: 117.07 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A171 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 :: 176.19 CA :: 52.14 CB :: 19.84 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.50 HA :: 4.30 HB1 :: 1.25 HB2 :: 1.25 HB3 :: 1.25 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.19 Ave N Shift Values>> N :: 123.23(3.54) 2.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 171.17 CA :: 63.74 CB :: 33.20 CG1 :: 21.92 CG2 :: 20.24 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 :: 7.29 HA :: 4.02 HB :: 2.12 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 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 :: 121.97 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 217 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 225 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 226 #Suspicious: 0 C Shift Results: #Consistent: 925 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1468 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 216 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.F40 HB2 = 1.66(S), Expected = 3.00, Std = 0.3700, ChiSquare = 2.9276e-04 2.D22 HA = 3.33(S), Expected = 4.59, Std = 0.3200, ChiSquare = 8.2335e-05 2.K28 HD2 = 0.87(S), Expected = 1.61, Std = 0.2200, ChiSquare = 7.6923e-04 2.Q29 NE2 = 105.93(S), Expected = 111.87, Std = 1.7200, ChiSquare = 5.5339e-04 2.E87 HB3 = 2.75(S), Expected = 1.99, Std = 0.2300, ChiSquare = 9.5198e-04 2.N150 HB2 = 1.78(S), Expected = 2.81, Std = 0.3100, ChiSquare = 8.9189e-04 2.L154 HB2 = 0.23(S), Expected = 1.61, Std = 0.3400, ChiSquare = 4.9321e-05 2.F155 HB2 = 1.26(S), Expected = 3.00, Std = 0.3700, ChiSquare = 2.5674e-06 2.Y167 HE2 = 5.88(S), Expected = 6.71, Std = 0.2300, ChiSquare = 3.0774e-04