Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.403(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.M4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 I 0.35 A 0.13 C Shift Assignments>> C :: 176.441(D) CE :: 16.999 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 :: 8.680(D) HE1 :: 2.124 HE2 :: 2.124 HE3 :: 2.124 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 :: 122.790(D) Ave N Shift Values>> N :: 120.09(3.57) 1.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.096(D) CA :: 61.825(D) CB :: 69.816(D) CG2 :: 21.630 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 :: 8.244(D) HA :: 4.417(D) HB :: 4.299 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 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 :: 114.602(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G6 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.464(D) HA2 :: 4.033 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.228(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G7 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 174.291(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.002 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.28 C 0.24 M 0.07 E 0.05 R 0.03 C Shift Assignments>> C :: 176.052(D) CA :: 56.109(D) CB :: 29.396(D) CG :: 33.622(D) 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 :: 8.330(D) HA :: 4.354(D) HB2 :: 2.019(D) HB3 :: 2.125(D) HG2 :: 2.378(D) HE21 :: 6.879 HE22 :: 7.546 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 :: 119.737(D) NE2 :: 112.231 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q9 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 175.968 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 :: 8.510(D) HA :: 4.342(D) HG2 :: 2.395(D) HE21 :: 6.877 HE22 :: 7.518 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 :: 121.344(D) NE2 :: 112.319 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 D 0.07 K 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 176.653(D) CA :: 55.724(D) 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 :: 8.434(D) HA :: 4.490(D) HB2 :: 2.041(D) HB3 :: 2.117(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.487(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G11 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.G31 1.G31 C Shift Assignments>> C :: 173.770(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.440(D) HA2 :: 3.984 HA3 :: 3.985 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.906(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.44 C 0.33 K 0.14 Q 0.04 M 0.03 HN Overlap>> 1.D44 1.D44 C Shift Assignments>> C :: 175.670(D) CA :: 55.714 CB :: 31.244(D) CG :: 27.247 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 :: 8.134(D) HA :: 4.388(D) HB2 :: 1.838 HB3 :: 1.746 HG2 :: 1.605 HG3 :: 1.599 HD2 :: 3.145 HD3 :: 3.125 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 :: 120.024(D) 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.D13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.21 L 0.19 K 0.05 F 0.05 C 0.05 Y 0.03 HN Overlap>> 1.V81 1.V81 C Shift Assignments>> CA :: 52.392(D) CB :: 41.155(D) 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 :: 8.458(D) HA :: 4.888(D) HB2 :: 2.795(D) HB3 :: 2.594(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.010(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.094(D) CA :: 63.810(D) CB :: 32.189(D) CG :: 27.333(D) CD :: 50.845(D) 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 :: 4.279(D) HB2 :: 2.254(D) HB3 :: 1.953(D) HG2 :: 2.002(D) HG3 :: 1.982(D) HD2 :: 3.827(D) HD3 :: 3.885(D) 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.D15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.22 K 0.12 F 0.12 Y 0.09 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 176.744(D) CA :: 55.065(D) CB :: 41.130(D) 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 :: 8.361(D) HA :: 4.596(D) HB2 :: 2.652 HB3 :: 2.649 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 :: 118.764(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.44 C 0.39 R 0.14 C Shift Assignments>> C :: 176.502(D) CA :: 56.645(D) CB :: 32.863(D) CG :: 24.558(D) CD :: 28.981(D) CE :: 42.277 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 :: 7.906(D) HA :: 4.228(D) HB2 :: 1.746(D) HB3 :: 1.713(D) HG2 :: 1.277(D) HG3 :: 1.254(D) HD2 :: 1.618(D) HD3 :: 1.679(D) HE2 :: 2.964 HE3 :: 2.954 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 :: 120.220(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.279(D) CA :: 57.323(D) CB :: 29.204(D) CD1 :: 126.938 CE3 :: 121.535 CZ2 :: 114.980 CZ3 :: 120.735 CH2 :: 124.659 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 :: 7.949(D) HA :: 4.672(D) HB2 :: 3.280(D) HB3 :: 3.298(D) HD1 :: 7.283 HE1 :: 10.171 HE3 :: 7.614 HZ2 :: 7.488 HZ3 :: 7.137 HH2 :: 7.225 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.338(D) NE1 :: 129.329 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.783(D) CA :: 56.343(D) CB :: 28.931(D) 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 :: 8.020(D) HA :: 4.165(D) HB2 :: 1.842 HB3 :: 1.968 HG2 :: 2.111 HG3 :: 2.108 HE21 :: 6.818 HE22 :: 7.437 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 :: 120.811(D) NE2 :: 112.051 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.1 H 0.1 Q 0.1 R 0.09 L 0.08 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 174.485(D) CA :: 56.254(D) 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 :: 8.209(D) HA :: 4.559(D) HB2 :: 3.153 HB3 :: 3.204 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 :: 119.007(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.23 K 0.13 F 0.11 Y 0.08 N 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.167(D) CA :: 54.868(D) CB :: 41.224(D) 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 :: 8.414(D) HA :: 4.574(D) HB2 :: 2.667 HB3 :: 2.661 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 :: 120.625(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.55 C 0.25 K 0.15 R 0.02 G 0.01 C Shift Assignments>> C :: 177.236(D) CA :: 55.705(D) CB :: 42.266(D) CG :: 26.681(D) CD1 :: 24.832 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 :: 8.069(D) HA :: 4.236(D) HB2 :: 1.500(D) HB3 :: 1.404(D) HG :: 1.507 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 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 :: 121.498(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.39 F 0.38 C 0.21 HN Overlap>> 1.A50 1.A50 C Shift Assignments>> C :: 175.525(D) CA :: 57.817(D) CB :: 39.285(D) CD1 :: 132.060 CE1 :: 131.521 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 :: 8.123(D) HA :: 4.617(D) HB2 :: 3.194(D) HB3 :: 3.026(D) HD1 :: 7.263 HD2 :: 7.275(D) HE1 :: 7.346 HE2 :: 7.350 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.494(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.25 K 0.14 F 0.08 N 0.07 Y 0.05 C 0.05 R 0.03 C Shift Assignments>> C :: 176.276 CA :: 54.243(D) CB :: 41.562(D) 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 :: 8.204(D) HA :: 4.662(D) HB2 :: 2.678(D) HB3 :: 2.743(D) 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 :: 121.761(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L43 1.L43 C Shift Assignments>> C :: 175.365 CA :: 58.977 CB :: 63.820 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.338 HA :: 4.409 HB2 :: 4.014 HB3 :: 3.927 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 :: 116.880 Ave N Shift Values>> N :: 116.28(3.52) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.442 CA :: 45.576 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.546 HA2 :: 4.019 HA3 :: 4.037 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.607 Ave N Shift Values>> N :: 109.67(3.87) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.13 K 0.12 R 0.11 Q 0.11 I 0.11 E 0.09 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 175.151 CA :: 58.607 CB :: 28.131 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.215 HA :: 4.585 HB2 :: 2.977 HB3 :: 2.978 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.164 Ave N Shift Values>> N :: 120.17(4.64) 1.G27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.648 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.581 HA2 :: 4.017 HA3 :: 4.017 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.111 Ave N Shift Values>> N :: 109.67(3.87) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.695 CA :: 45.308 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.359 HA2 :: 4.018 HA3 :: 4.018 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.858 Ave N Shift Values>> N :: 109.67(3.87) 1.G29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.248 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.347 HA2 :: 4.011 HA3 :: 4.003 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.684 Ave N Shift Values>> N :: 109.67(3.87) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.08 K 0.07 Q 0.06 I 0.03 C Shift Assignments>> C :: 177.102 CA :: 56.828 CB :: 30.128 CG :: 36.174 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 :: 8.488 HA :: 4.336 HB2 :: 1.997 HB3 :: 2.122 HG2 :: 2.311 HG3 :: 2.312 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 :: 120.451 Ave N Shift Values>> N :: 120.67(3.48) 1.G31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.G11 1.G11 C Shift Assignments>> C :: 173.979 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.523 HA2 :: 4.003 HA3 :: 4.003 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.875 Ave N Shift Values>> N :: 109.67(3.87) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.965 CA :: 61.921 CB :: 32.987 CG1 :: 20.530 CG2 :: 21.239 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 :: 7.895 HA :: 4.201 HB :: 2.110 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 118.622 Ave N Shift Values>> N :: 121.14(4.54) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.36 M 0.08 K 0.04 I 0.03 Q 0.02 C Shift Assignments>> C :: 176.505 CA :: 56.416 CB :: 30.194 CG :: 36.687 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 :: 8.578 HA :: 4.490 HB2 :: 2.116 HB3 :: 2.171 HG2 :: 2.384 HG3 :: 2.381 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 :: 124.954 Ave N Shift Values>> N :: 120.67(3.48) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.09 C Shift Assignments>> C :: 175.571 CA :: 61.711 CB :: 70.229 CG2 :: 21.453 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 :: 8.298 HA :: 4.521 HB :: 4.440 HG21 :: 1.287 HG22 :: 1.287 HG23 :: 1.287 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.551 Ave N Shift Values>> N :: 115.42(4.75) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 173.189 CA :: 45.648 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.888 HA2 :: 3.864 HA3 :: 4.231 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.166 Ave N Shift Values>> N :: 109.67(3.87) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.29 C 0.13 K 0.04 C Shift Assignments>> C :: 174.301 CA :: 51.826 CB :: 22.839 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.092 HA :: 4.607 HB1 :: 1.263 HB2 :: 1.263 HB3 :: 1.263 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.510 Ave N Shift Values>> N :: 123.23(3.54) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.41 R 0.05 C Shift Assignments>> C :: 174.201 CA :: 55.435 CB :: 34.800 CG :: 24.540 CD :: 29.616 CE :: 41.726 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 :: 8.617 HA :: 4.980 HB2 :: 1.368 HB3 :: 1.542 HG2 :: 0.962 HG3 :: 0.616 HD2 :: 1.378 HD3 :: 1.374 HE2 :: 2.667 HE3 :: 2.666 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.580 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.33 C 0.17 A 0.12 C Shift Assignments>> C :: 176.013 CA :: 52.561 CB :: 43.883 CD1 :: 22.971 CD2 :: 26.085 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 :: 9.381 HA :: 5.325 HB2 :: 1.728 HB3 :: 1.103 HG :: 0.885 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 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 :: 120.966 Ave N Shift Values>> N :: 121.86(3.9) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.22 G 0.09 R 0.03 A 0.01 C Shift Assignments>> C :: 176.523 CA :: 53.917 CB :: 43.329 CG :: 27.682 CD1 :: 24.148 CD2 :: 24.369 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 :: 9.102 HA :: 5.072 HB2 :: 1.460 HB3 :: 1.668 HG :: 1.468 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 HD21 :: 0.891 HD22 :: 0.891 HD23 :: 0.891 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.094 Ave N Shift Values>> N :: 121.86(3.9) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 174.830 CA :: 60.772 CB :: 33.581 CG1 :: 22.486 CG2 :: 21.463 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.123 HA :: 5.050 HB :: 1.973 HG11 :: 1.216 HG12 :: 1.216 HG13 :: 1.216 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 130.557 Ave N Shift Values>> N :: 121.14(4.54) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 172.832 CA :: 57.407 CB :: 66.129 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.367 HA :: 5.346 HB2 :: 3.787 HB3 :: 3.963 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.328 Ave N Shift Values>> N :: 116.28(3.52) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.12 D 0.1 Y 0.08 F 0.07 E 0.02 L 0.02 M 0.02 C Shift Assignments>> C :: 175.543 CA :: 53.499 CB :: 38.053 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 :: 8.554 HA :: 4.493 HB2 :: 2.828 HB3 :: 3.658 HD21 :: 7.129 HD22 :: 7.902 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.325 ND2 :: 110.857 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.2 G 0.15 R 0.06 A 0.04 HN Overlap>> 1.S24 1.S24 C Shift Assignments>> CA :: 53.984 CB :: 43.659 CG :: 26.655 CD1 :: 23.364 CD2 :: 25.778 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 :: 8.251 HA :: 4.226 HB2 :: 1.095 HB3 :: 1.204 HG :: 1.325 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.441 HD22 :: 0.441 HD23 :: 0.441 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 :: 116.837 Ave N Shift Values>> N :: 121.86(3.9) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.25 D 0.15 K 0.09 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 HN Overlap>> 1.R12 1.R12 C Shift Assignments>> C :: 177.477 CA :: 54.905 CB :: 43.017 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 :: 8.214 HA :: 4.246 HB2 :: 2.567 HB3 :: 2.772 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 :: 120.050 Ave N Shift Values>> N :: 120.65(3.86) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.34 C 0.26 C Shift Assignments>> C :: 175.569 CA :: 59.605 CB :: 38.196 CD1 :: 131.252 CZ :: 129.913 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 :: 8.185 HA :: 4.315 HB2 :: 3.044 HB3 :: 3.399 HD1 :: 7.257 HD2 :: 7.258 HE1 :: 7.326 HE2 :: 7.292 HZ :: 7.361 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.195 Ave N Shift Values>> N :: 120.45(4.18) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.475 CA :: 44.846 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.857 HA2 :: 3.671 HA3 :: 4.186 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.369 Ave N Shift Values>> N :: 109.67(3.87) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.779 CA :: 63.586 CB :: 30.783 CG1 :: 21.939 CG2 :: 20.708 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 :: 6.994 HA :: 3.512 HB :: 1.575 HG11 :: 0.046 HG12 :: 0.046 HG13 :: 0.046 HG21 :: -0.044 HG22 :: -0.044 HG23 :: -0.044 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 :: 122.376 Ave N Shift Values>> N :: 121.14(4.54) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 S 0.23 C Shift Assignments>> C :: 175.184 CA :: 56.585 CB :: 67.818 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.490 HA :: 4.931 HB2 :: 3.979 HB3 :: 4.384 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 :: 126.189 Ave N Shift Values>> N :: 116.28(3.52) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.1 L 0.07 D 0.05 K 0.02 C Shift Assignments>> C :: 177.747 CA :: 58.243 CB :: 40.068 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 :: 8.714 HA :: 4.127 HB2 :: 2.806 HB3 :: 2.985 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 :: 120.694 Ave N Shift Values>> N :: 120.65(3.86) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 I 0.03 C 0.02 HN Overlap>> 1.E118 1.F22 1.E118 1.F22 C Shift Assignments>> C :: 180.447 CA :: 55.087 CB :: 18.298 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.158 HA :: 4.115 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.502 Ave N Shift Values>> N :: 123.23(3.54) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.17 L 0.16 Y 0.12 R 0.1 C 0.07 D 0.07 I 0.02 C Shift Assignments>> C :: 177.080 CA :: 57.684 CB :: 41.985 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 :: 7.473 HA :: 4.719 HB2 :: 2.963 HB3 :: 2.969 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 :: 118.999 Ave N Shift Values>> N :: 120.65(3.86) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.39 C Shift Assignments>> C :: 178.431 CA :: 61.888 CB :: 36.199 CG1 :: 26.660 CG2 :: 18.920 CD1 :: 10.451 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 :: 7.384 HA :: 4.047 HB :: 2.135 HG12 :: 1.499 HG13 :: 1.050 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.778 Ave N Shift Values>> N :: 121.46(4.28) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.19 K 0.17 I 0.06 R 0.06 E 0.06 HN Overlap>> 1.Y69 1.Y69 C Shift Assignments>> C :: 177.073 CA :: 59.738 CB :: 27.884 CG :: 34.143 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 :: 8.508 HA :: 3.747 HB2 :: 2.198 HB3 :: 2.247 HG2 :: 2.473 HG3 :: 2.470 HE21 :: 7.501 HE22 :: 6.869 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 :: 120.321 NE2 :: 109.995 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.17 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.992 CA :: 58.988 CB :: 29.190 CG :: 36.482 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 :: 8.114 HA :: 4.020 HB2 :: 2.224 HB3 :: 2.379 HG2 :: 2.462 HG3 :: 2.287 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 :: 117.266 Ave N Shift Values>> N :: 120.67(3.48) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.37 R 0.11 G 0.06 C Shift Assignments>> C :: 178.857 CA :: 57.563 CB :: 43.233 CG :: 26.649 CD1 :: 23.502 CD2 :: 25.912 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 :: 7.887 HA :: 4.094 HB2 :: 1.507 HB3 :: 1.731 HG :: 0.615 HD11 :: 0.364 HD12 :: 0.364 HD13 :: 0.364 HD21 :: -0.051 HD22 :: -0.051 HD23 :: -0.051 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 :: 117.388 Ave N Shift Values>> N :: 121.86(3.9) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 177.044 CA :: 62.096 CB :: 39.689 CD1 :: 132.728 CD2 :: 132.688 CE1 :: 130.672 CE2 :: 130.664 CZ :: 129.692 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 :: 8.219 HA :: 4.876 HB2 :: 3.488 HB3 :: 2.921 HD1 :: 7.807 HD2 :: 7.807 HE1 :: 7.232 HE2 :: 7.237 HZ :: 7.225 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 :: 112.254 Ave N Shift Values>> N :: 120.45(4.18) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.03 C 0.02 C Shift Assignments>> C :: 179.037 CA :: 54.940 CB :: 18.050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.677 HA :: 4.541 HB1 :: 1.619 HB2 :: 1.619 HB3 :: 1.619 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.699 Ave N Shift Values>> N :: 123.23(3.54) 1.E58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 E 0.28 Q 0.17 K 0.15 M 0.05 I 0.03 C Shift Assignments>> C :: 177.053 CA :: 57.867 CB :: 29.695 CG :: 35.236 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 :: 7.311 HA :: 4.058 HB2 :: 1.738 HB3 :: 1.936 HG2 :: 1.573(S) HG3 :: 1.837 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 113.840 Ave N Shift Values>> N :: 120.67(3.48) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> C :: 174.798 CA :: 59.981 CB :: 40.102 CD1 :: 131.879 CD2 :: 131.879 CE1 :: 131.832 CE2 :: 131.879 CZ :: 129.666 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 :: 7.863 HA :: 4.337 HB2 :: 3.254 HB3 :: 3.441 HD1 :: 7.631 HD2 :: 7.631 HE1 :: 7.449 HE2 :: 7.441 HZ :: 7.061 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.655 Ave N Shift Values>> N :: 120.45(4.18) 1.G60 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 184.935(A) CA :: 44.834 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.535 HA2 :: 3.944 HA3 :: 4.894 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.065 Ave N Shift Values>> N :: 109.67(3.87) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.067 CA :: 64.366 CB :: 69.397 CG2 :: 22.616 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 :: 8.227 HA :: 4.119 HB :: 4.074 HG21 :: 1.243 HG22 :: 1.243 HG23 :: 1.243 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.834 Ave N Shift Values>> N :: 115.42(4.75) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.17 G 0.07 R 0.06 A 0.05 C Shift Assignments>> C :: 177.275 CA :: 53.649 CB :: 43.115 CG :: 26.395 CD1 :: 26.100 CD2 :: 23.196 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 :: 8.960 HA :: 4.573 HB2 :: 1.024 HB3 :: 1.742 HG :: 1.691 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: -0.074 HD22 :: -0.074 HD23 :: -0.074 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.972 Ave N Shift Values>> N :: 121.86(3.9) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.42 R 0.09 C Shift Assignments>> C :: 176.342 CA :: 56.521 CB :: 33.148 CG :: 24.541 CD :: 28.177 CE :: 41.479 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 :: 8.907 HA :: 4.316 HB2 :: 1.712 HB3 :: 1.287 HG2 :: 1.263 HG3 :: 1.263 HD2 :: 1.463 HD3 :: 1.456 HE2 :: 2.883 HE3 :: 2.947 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.827 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.12 G 0.01 C Shift Assignments>> C :: 173.940 CA :: 56.568 CB :: 35.491 CG :: 24.895 CD :: 28.967 CE :: 42.261 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 :: 7.454 HA :: 4.264 HB2 :: 1.758 HB3 :: 1.297 HG2 :: 1.154 HG3 :: 1.318 HD2 :: 1.447 HD3 :: 1.304 HE2 :: 2.832 HE3 :: 2.884 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 :: 117.334 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.03 C 0.02 L 0.02 C Shift Assignments>> C :: 173.714 CA :: 52.128 CB :: 20.154 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.744 HA :: 4.952 HB1 :: 1.311 HB2 :: 1.311 HB3 :: 1.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.613 Ave N Shift Values>> N :: 123.23(3.54) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.39 C 0.12 K 0.01 C Shift Assignments>> C :: 176.257 CA :: 51.245 CB :: 22.558 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.253 HA :: 4.833 HB1 :: 1.390 HB2 :: 1.390 HB3 :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.917 Ave N Shift Values>> N :: 123.23(3.54) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.000 CA :: 62.462 CB :: 33.140 CG1 :: 20.465 CG2 :: 22.872 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.161 HA :: 3.983 HB :: 1.921 HG11 :: 0.465 HG12 :: 0.465 HG13 :: 0.465 HG21 :: 0.682 HG22 :: 0.682 HG23 :: 0.682 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.396 Ave N Shift Values>> N :: 121.14(4.54) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.15 F 0.07 N 0.06 Y 0.05 R 0.04 C 0.04 C Shift Assignments>> C :: 173.206 CA :: 54.196 CB :: 41.733 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 :: 8.423 HA :: 4.734 HB2 :: 2.480 HB3 :: 2.442 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.184 Ave N Shift Values>> N :: 120.65(3.86) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.22 G 0.01 HN Overlap>> 1.Q53 1.Q53 C Shift Assignments>> C :: 176.749 CA :: 57.114 CB :: 42.261 CD1 :: 132.767 CD2 :: 132.864 CE1 :: 117.928 CE2 :: 117.875 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 :: 8.432 HA :: 5.075 HB2 :: 2.799 HB3 :: 2.840 HD1 :: 6.930 HD2 :: 6.940 HE1 :: 6.930 HE2 :: 6.923 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.347 Ave N Shift Values>> N :: 120.52(4.2) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.21 L 0.19 K 0.05 F 0.05 C 0.05 Y 0.03 C Shift Assignments>> C :: 178.363 CA :: 52.370 CB :: 41.144 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.048 HA :: 4.762 HB2 :: 2.758 HB3 :: 3.457 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 :: 121.175 Ave N Shift Values>> N :: 120.65(3.86) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.43 G 0.06 K 0.03 L 0.01 C Shift Assignments>> C :: 177.329 CA :: 58.519 CB :: 29.540 CG :: 27.376 CD :: 43.361 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 :: 8.510 HA :: 4.194 HB2 :: 1.964 HB3 :: 1.978 HG2 :: 1.784 HG3 :: 1.784 HD2 :: 3.271 HD3 :: 3.285 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 :: 117.739 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.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.500 CA :: 58.475 CB :: 64.097 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.445 HA :: 4.622 HB2 :: 4.009 HB3 :: 4.009 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 :: 115.526 Ave N Shift Values>> N :: 116.28(3.52) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.643 CA :: 45.434 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.254 HA2 :: 4.223 HA3 :: 3.618 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.787 Ave N Shift Values>> N :: 109.67(3.87) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.33 G 0.07 K 0.06 C Shift Assignments>> C :: 176.262 CA :: 55.308 CB :: 30.550 CG :: 27.497 CD :: 43.345 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 :: 8.291 HA :: 4.515 HB2 :: 1.848 HB3 :: 1.873 HG2 :: 1.629 HG3 :: 1.629 HD2 :: 3.155 HD3 :: 3.159 HE :: 7.347 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 :: 122.140 NE :: 85.400 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.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.943 CA :: 58.221 CB :: 64.001 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.809 HA :: 4.097 HB2 :: 3.884 HB3 :: 4.062 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 :: 118.398 Ave N Shift Values>> N :: 116.28(3.52) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.26 R 0.1 A 0.02 G 0.01 C Shift Assignments>> C :: 178.888 CA :: 54.988 CB :: 42.279 CG :: 27.519 CD1 :: 25.555 CD2 :: 23.386 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 :: 8.722 HA :: 4.454 HB2 :: 1.653 HB3 :: 1.559 HG :: 1.527 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 HD21 :: 0.964 HD22 :: 0.964 HD23 :: 0.964 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 :: 125.225 Ave N Shift Values>> N :: 121.86(3.9) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.086 CA :: 46.016 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.657 HA2 :: 3.416 HA3 :: 4.051 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.777 Ave N Shift Values>> N :: 109.67(3.87) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 T 0.46 A 0.04 C Shift Assignments>> C :: 172.503 CA :: 58.361 CB :: 72.478 CG2 :: 21.266 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 :: 7.054 HA :: 5.376 HB :: 4.361 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 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 :: 106.376 Ave N Shift Values>> N :: 115.42(4.75) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.18 C 0.18 K 0.06 P 0.01 C Shift Assignments>> C :: 174.444 CA :: 50.884 CB :: 23.441 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.174 HA :: 4.852 HB1 :: 0.950 HB2 :: 0.950 HB3 :: 0.950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.536 Ave N Shift Values>> N :: 123.23(3.54) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.2 D 0.19 G 0.11 C 0.04 K 0.03 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 175.109 CA :: 52.820 CB :: 43.288 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 :: 8.366 HA :: 5.173 HB2 :: 2.619 HB3 :: 2.655 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 :: 121.260 Ave N Shift Values>> N :: 120.65(3.86) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 173.939 CA :: 61.081 CB :: 33.858 CG1 :: 21.062 CG2 :: 22.676 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 :: 8.387 HA :: 4.425 HB :: 1.682 HG11 :: 0.378 HG12 :: 0.378 HG13 :: 0.378 HG21 :: 0.341 HG22 :: 0.341 HG23 :: 0.341 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 :: 122.980 Ave N Shift Values>> N :: 121.14(4.54) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 H 0.26 W 0.03 Y 0.02 C Shift Assignments>> C :: 174.910 CA :: 53.326 CB :: 33.608 CD2 :: 116.893 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.271 HA :: 5.501 HB2 :: 3.197 HB3 :: 2.957 HD2 :: 6.933 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 :: 127.248 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.27 Y 0.18 C Shift Assignments>> C :: 175.563 CA :: 58.238 CB :: 41.253 CD1 :: 129.903 CZ :: 129.365 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 :: 9.310 HA :: 4.853 HB2 :: 3.736 HB3 :: 2.733 HD1 :: 7.285 HD2 :: 7.268 HE1 :: 7.151 HE2 :: 7.179 HZ :: 7.463 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 :: 125.565 Ave N Shift Values>> N :: 120.45(4.18) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.34 I 0.13 M 0.03 K 0.02 C Shift Assignments>> C :: 176.391 CA :: 59.385 CB :: 30.390 CG :: 36.904 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 :: 8.211 HA :: 4.091 HB2 :: 1.981 HB3 :: 2.241 HG2 :: 2.183 HG3 :: 2.278 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 :: 120.966 Ave N Shift Values>> N :: 120.67(3.48) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.31 G 0.13 K 0.03 C Shift Assignments>> C :: 176.856 CA :: 54.191 CB :: 31.723 CG :: 27.098 CD :: 43.610 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.397 HA :: 4.881 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 1.673 HG3 :: 1.845 HD2 :: 3.349 HD3 :: 3.406 HE :: 7.646 HH11 :: 6.931 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 :: 115.287 NE :: 84.704 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.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.32 K 0.13 G 0.01 C Shift Assignments>> C :: 177.253 CA :: 59.798 CB :: 29.684 CG :: 27.954 CD :: 42.317 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.358 HA :: 3.719 HB2 :: 1.828 HB3 :: 1.833 HG2 :: 1.488 HG3 :: 1.788 HD2 :: 3.228 HD3 :: 3.147 HE :: 7.409 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 :: 127.396 NE :: 84.448 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.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 I 0.03 C 0.03 C Shift Assignments>> C :: 179.946 CA :: 55.260 CB :: 18.508 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.168 HA :: 3.959 HB1 :: 1.433 HB2 :: 1.433 HB3 :: 1.433 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.374 Ave N Shift Values>> N :: 123.23(3.54) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.2 F 0.15 D 0.12 Y 0.11 C 0.06 R 0.06 I 0.01 N 0.01 C Shift Assignments>> C :: 176.273 CA :: 56.772 CB :: 41.684 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.767 HA :: 4.355 HB2 :: 2.656 HB3 :: 2.896 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.864 Ave N Shift Values>> N :: 120.65(3.86) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.27 C 0.02 C Shift Assignments>> C :: 179.084 CA :: 54.054 CB :: 18.774 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.692 HA :: 2.833 HB1 :: 1.167 HB2 :: 1.167 HB3 :: 1.167 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.331 Ave N Shift Values>> N :: 123.23(3.54) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.36 HN Overlap>> 1.F59 1.F59 C Shift Assignments>> C :: 179.605 CA :: 58.024 CB :: 41.181 CD1 :: 24.967 CD2 :: 23.368 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 :: 7.900 HA :: 3.830 HB2 :: 1.479 HB3 :: 1.715 HG :: 1.497 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 115.741 Ave N Shift Values>> N :: 121.86(3.9) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.38 R 0.11 G 0.01 C Shift Assignments>> C :: 178.385 CA :: 59.668 CB :: 32.687 CG :: 25.486 CE :: 42.307 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 :: 7.329 HA :: 3.881 HB2 :: 2.023 HB3 :: 2.015 HG2 :: 1.718 HG3 :: 1.538 HD2 :: 1.910 HD3 :: 1.894 HE2 :: 3.112 HE3 :: 3.123 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 :: 119.702 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.65 M 0.25 C 0.04 L 0.02 I 0.01 V 0.01 C Shift Assignments>> C :: 178.686 CA :: 54.716 CB :: 19.420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.454 HA :: 2.562(S) HB1 :: 1.200 HB2 :: 1.200 HB3 :: 1.200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.302 Ave N Shift Values>> N :: 123.23(3.54) 1.M93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> C :: 176.973 CA :: 59.571 CB :: 33.335 CG :: 31.568 CE :: 17.117 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 :: 8.111 HA :: 3.865 HB2 :: 2.250 HB3 :: 1.943 HG2 :: 2.435 HG3 :: 2.239 HE1 :: 2.097 HE2 :: 2.097 HE3 :: 2.097 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 :: 115.729 Ave N Shift Values>> N :: 120.09(3.57) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.48 C Shift Assignments>> C :: 178.584 CA :: 58.820 CB :: 32.221 CG :: 24.938 CD :: 29.025 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 :: 7.884 HA :: 3.950 HB2 :: 1.867 HB3 :: 1.866 HG2 :: 1.512 HG3 :: 1.452 HD2 :: 1.689 HD3 :: 1.675 HE2 :: 2.964 HE3 :: 2.966 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 :: 117.056 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.27 R 0.19 Q 0.15 M 0.04 C Shift Assignments>> C :: 177.555 CA :: 58.057 CB :: 28.216 CG :: 32.305 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 :: 7.441 HA :: 3.979 HB2 :: 1.233 HB3 :: 1.781 HG2 :: 1.486 HG3 :: 1.846 HE21 :: 6.941 HE22 :: 6.850 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 :: 116.470 NE2 :: 110.933 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 175.744 CA :: 57.785 CB :: 40.395 CD1 :: 132.131 CD2 :: 132.131 CE1 :: 118.242 CE2 :: 118.186 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 :: 7.206 HA :: 5.059 HB2 :: 3.483 HB3 :: 2.453 HD1 :: 6.812 HD2 :: 6.811 HE1 :: 6.664 HE2 :: 6.660 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 :: 111.017 Ave N Shift Values>> N :: 120.52(4.2) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.27 R 0.08 P 0.05 V 0.03 Q 0.02 C Shift Assignments>> C :: 178.066 CA :: 60.350 CB :: 32.606 CG :: 25.489 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 :: 8.505 HA :: 3.875 HB2 :: 2.015 HB3 :: 2.032 HG2 :: 1.513 HG3 :: 1.724 HD2 :: 1.796 HD3 :: 1.796 HE2 :: 3.161 HE3 :: 3.185 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.609 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.022 CA :: 45.592 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.244 HA2 :: 3.663 HA3 :: 4.311 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.853 Ave N Shift Values>> N :: 109.67(3.87) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> CA :: 61.199 CB :: 32.447 CG1 :: 21.319 CG2 :: 23.578 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 :: 7.932 HA :: 4.074 HB :: 2.260 HG11 :: 0.993 HG12 :: 0.993 HG13 :: 0.993 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 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 :: 122.924 Ave N Shift Values>> N :: 121.14(4.54) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.07 R 0.06 K 0.01 Q 0.01 C Shift Assignments>> C :: 175.556 CB :: 31.918 CG :: 27.398 CD :: 50.916 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 :: 4.801 HB2 :: 1.827 HB3 :: 2.017 HG2 :: 2.256 HG3 :: 2.033 HD2 :: 3.658 HD3 :: 4.209 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.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.18 C 0.16 C Shift Assignments>> C :: 177.116 CA :: 53.704 CB :: 43.690 CD1 :: 24.951 CD2 :: 25.452 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 :: 7.590 HA :: 4.504 HB2 :: 1.750 HB3 :: 1.415 HG :: 1.472 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 122.598 Ave N Shift Values>> N :: 121.86(3.9) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.19 Y 0.18 N 0.15 C 0.11 L 0.1 I 0.02 C Shift Assignments>> C :: 175.979 CA :: 55.545 CB :: 39.538 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.496 HA :: 4.332 HB2 :: 2.736 HB3 :: 2.976 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.937 Ave N Shift Values>> N :: 120.65(3.86) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.955 CA :: 45.220 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.522 HA2 :: 4.218 HA3 :: 3.653 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.533 Ave N Shift Values>> N :: 109.67(3.87) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.28 K 0.11 G 0.06 HN Overlap>> 1.I108 1.I108 C Shift Assignments>> CA :: 53.163 CB :: 31.679 CG :: 26.687 CD :: 42.899 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 :: 7.700 HA :: 4.955 HB2 :: 1.925 HB3 :: 1.865 HG2 :: 1.512 HG3 :: 1.667 HD2 :: 3.117 HD3 :: 3.116 HE :: 6.916 HH11 :: 6.535 HH12 :: 6.652 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 :: 120.918 NE :: 84.600 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.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> C :: 176.507 CA :: 61.901 CB :: 31.561 CG :: 27.670 CD :: 51.178 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 :: 4.345 HB2 :: 1.865 HB3 :: 2.028 HG2 :: 2.203 HG3 :: 2.210 HD2 :: 3.706 HD3 :: 3.965 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.M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.47 A 0.02 C Shift Assignments>> C :: 175.592 CA :: 57.193 CB :: 33.856 CG :: 31.810 CE :: 16.689 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 :: 8.390 HA :: 4.424 HB2 :: 2.339 HB3 :: 2.341 HG2 :: 2.617 HG3 :: 2.509 HE1 :: 1.998 HE2 :: 1.998 HE3 :: 1.998 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 :: 127.846 Ave N Shift Values>> N :: 120.09(3.57) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.13 K 0.09 C 0.04 N 0.04 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 175.450 CA :: 53.075 CB :: 42.551 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 :: 8.221 HA :: 5.235 HB2 :: 2.544 HB3 :: 2.792 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.228 Ave N Shift Values>> N :: 120.65(3.86) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 G 0.14 I 0.08 HN Overlap>> 1.R104 1.R104 C Shift Assignments>> C :: 173.626 CA :: 61.033 CB :: 43.209 CG1 :: 28.607 CG2 :: 20.324 CD1 :: 14.792 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 :: 7.725 HA :: 4.995 HB :: 1.528 HG12 :: 1.318 HG13 :: 1.308 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 1.129 HD12 :: 1.129 HD13 :: 1.129 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 :: 120.908 Ave N Shift Values>> N :: 121.46(4.28) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 C 0.34 Q 0.09 E 0.01 C Shift Assignments>> C :: 173.848 CA :: 53.767 CB :: 32.980 CG :: 33.539 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 :: 8.639 HA :: 4.762 HB2 :: 1.842 HB3 :: 2.116 HG2 :: 2.324 HG3 :: 2.322 HE21 :: 7.816 HE22 :: 6.790 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.222 NE2 :: 112.761 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.28 L 0.2 R 0.12 G 0.07 C Shift Assignments>> C :: 176.656 CA :: 55.013 CB :: 43.242 CG :: 29.044 CD1 :: 24.653 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 :: 8.657 HA :: 4.809 HB2 :: 1.697 HB3 :: 1.416 HG :: 1.444 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 125.824 Ave N Shift Values>> N :: 121.86(3.9) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.136 CA :: 62.138 CB :: 33.145 CG1 :: 21.411 CG2 :: 21.315 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 :: 8.699 HA :: 4.145 HB :: 1.966 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.799 Ave N Shift Values>> N :: 121.14(4.54) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.02 C Shift Assignments>> C :: 177.205 CA :: 52.201 CB :: 19.614 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.532 HA :: 4.448 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.854 Ave N Shift Values>> N :: 123.23(3.54) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.348 CA :: 58.355 CB :: 64.076 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.388 HA :: 4.445 HB2 :: 3.872 HB3 :: 3.872 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 :: 115.662 Ave N Shift Values>> N :: 116.28(3.52) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.25 C 0.24 E 0.1 M 0.06 R 0.02 C Shift Assignments>> C :: 175.970 CA :: 56.292 CB :: 29.410 CG :: 34.088 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 :: 8.542 HA :: 4.380 HB2 :: 2.025 HB3 :: 2.125 HG2 :: 2.377 HG3 :: 2.377 HE21 :: 6.875 HE22 :: 7.617 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 :: 122.187 NE2 :: 112.336 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.707 CA :: 61.425 CB :: 38.991 CG1 :: 27.553 CG2 :: 17.407 CD1 :: 13.039 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 :: 8.124 HA :: 4.139 HB :: 1.838 HG12 :: 1.455 HG13 :: 1.173 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 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 :: 121.071 Ave N Shift Values>> N :: 121.46(4.28) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 F 0.08 N 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.411 CA :: 54.308 CB :: 41.403 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 :: 8.322 HA :: 4.655 HB2 :: 2.774 HB3 :: 2.676 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.702 Ave N Shift Values>> N :: 120.65(3.86) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.31 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 177.789 CA :: 55.643 CB :: 42.266 CG :: 27.153 CD1 :: 23.179 CD2 :: 25.061 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 :: 8.215 HA :: 4.231 HB2 :: 1.648 HB3 :: 1.603 HG :: 1.632 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 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 :: 122.794 Ave N Shift Values>> N :: 121.86(3.9) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 I 0.1 M 0.09 K 0.05 Q 0.05 HN Overlap>> 1.A50 1.A50 C Shift Assignments>> C :: 176.513 CB :: 30.265 CG :: 36.191 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 :: 8.223 HA :: 4.152 HB2 :: 1.913 HB3 :: 1.906 HG2 :: 2.239 HG3 :: 2.153 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 :: 119.436 Ave N Shift Values>> N :: 120.67(3.48) 1.H119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.188 HA :: 4.630 HB2 :: 3.153 HB3 :: 3.064 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 :: 117.952 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 173.715 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) 1.H121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.303 HA :: 4.494 HB2 :: 3.225 HB3 :: 3.144 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.227 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.4 L 0.29 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> CA :: 43.407 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.021 HA3 :: 4.023 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.014 CA :: 63.126 CB :: 32.341 CG :: 27.124 CD :: 49.651 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 :: 4.510 HB2 :: 2.350 HB3 :: 1.987 HG2 :: 2.048 HG3 :: 2.046 HD2 :: 3.607 HD3 :: 3.607 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.21 G 0.01 A 0.01 C Shift Assignments>> CA :: 55.521 CB :: 42.308 CD1 :: 24.332 CD2 :: 23.574 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 :: 8.554 HA :: 4.387 HB2 :: 1.716 HB3 :: 1.674 HG :: 1.509 HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 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 :: 122.375 Ave N Shift Values>> N :: 121.86(3.9) 2.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.392 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.043 HA3 :: 4.029 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB2 :: 3.908 HB3 :: 3.933 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) 2.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.389 CA :: 58.539 CB :: 63.917 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.548 HB2 :: 3.958 HB3 :: 3.926 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) 2.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.12 R 0.12 K 0.11 Q 0.11 I 0.1 E 0.09 H 0.08 L 0.04 M 0.01 C Shift Assignments>> CA :: 58.539 CB :: 28.071 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.376 HA :: 4.561 HB2 :: 2.976 HB3 :: 2.983 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.862 Ave N Shift Values>> N :: 120.17(4.64) 2.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.57 R 0.2 L 0.1 I 0.1 G 0.01 C Shift Assignments>> CD :: 28.851 CE :: 42.195 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>> HG3 :: 1.467 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 3.031 HE3 :: 2.986 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.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.86 C 0.13 C Shift Assignments>> CA :: 61.678 CB :: 70.105 CG2 :: 22.235 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HB :: 4.141 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 2.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.24 V 0.24 T 0.17 P 0.15 I 0.12 C 0.02 C Shift Assignments>> CB :: 65.167 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 2.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> CA :: 57.620 CB :: 28.221 CD1 :: 127.535 CZ2 :: 115.581 CZ3 :: 120.450 CH2 :: 123.041 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 :: 4.551 HB2 :: 3.008 HB3 :: 3.348 HD1 :: 7.167 HE1 :: 9.974 HE3 :: 7.490 HZ2 :: 7.221 HZ3 :: 7.272 HH2 :: 6.720 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 :: 130.799 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.A12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.D13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 179.357 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 2.R14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.110 HE :: 7.045 HH11 :: 6.880 HH21 :: 6.805 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.907 NE :: 84.330 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.V15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> V 0.84 L 0.14 C Shift Assignments>> CG1 :: 21.452 CG2 :: 22.566 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>> HB :: 1.375 HG11 :: -0.411(S) HG12 :: -0.411(S) HG13 :: -0.411(S) HG21 :: 0.275 HG22 :: 0.275 HG23 :: 0.275 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) 2.R16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HE :: 7.383 HH11 :: 6.492 HH12 :: 6.575 HH21 :: 6.806 HH22 :: 6.883 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>> NE :: 86.223 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.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.41 C 0.22 I 0.08 M 0.06 Y 0.05 N 0.05 K 0.02 F 0.02 V 0.02 Q 0.01 C Shift Assignments>> CG :: 36.095 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>> HG2 :: 2.364 HG3 :: 2.214 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) 2.A18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.56 I 0.18 M 0.14 V 0.07 C 0.01 T 0.01 C Shift Assignments>> CB :: 18.899 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HB1 :: 1.661 HB2 :: 1.661 HB3 :: 1.661 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.A20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB1 :: 1.553 HB2 :: 1.553 HB3 :: 1.553 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.Q21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HG2 :: 2.525 HG3 :: 2.560 HE21 :: 7.540 HE22 :: 6.864 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>> NE2 :: 112.181 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 R 0.33 G 0.24 I 0.01 C Shift Assignments>> CG :: 26.939 CD :: 44.153 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>> HG2 :: 1.789 HG3 :: 1.815 HD3 :: 3.222 HE :: 7.452 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>> NE :: 84.454 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.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 L 0.34 G 0.07 K 0.05 I 0.03 C Shift Assignments>> CG :: 27.591 CD :: 43.332 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>> HG2 :: 1.671 HG3 :: 1.676 HD2 :: 3.243 HD3 :: 3.257 HE :: 7.242 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>> NE :: 85.281 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 122 #Clerical: 21 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 123 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 24 Shift Relative Order (SRO) Results: #Consistent: 147 #Suspicious: 0 C Shift Results: #Consistent: 434 #Duplicate: 50 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 791 #Duplicate: 63 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 117 #Duplicate: 18 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S3 C = 174.403(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.9960e-01 1.M4 C = 176.441(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.0062e-01 1.M4 H = 8.680(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.8393e-01 1.M4 N = 122.790(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.4947e-01 1.T5 C = 175.096(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.5207e-01 1.T5 CA = 61.825(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7879e-01 1.T5 CB = 69.816(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.5792e-01 1.T5 H = 8.244(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.9485e-01 1.T5 HA = 4.417(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.2862e-01 1.T5 N = 114.602(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6327e-01 1.G6 H = 8.464(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3667e-01 1.G6 N = 111.228(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8725e-01 1.G7 C = 174.291(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.2281e-01 1.Q8 C = 176.052(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.9474e-01 1.Q8 CA = 56.109(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2944e-01 1.Q8 CB = 29.396(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0988e-01 1.Q8 CG = 33.622(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.0106e-01 1.Q8 H = 8.330(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5210e-01 1.Q8 HA = 4.354(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.4860e-01 1.Q8 HB2 = 2.019(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.0132e-01 1.Q8 HB3 = 2.125(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.0766e-01 1.Q8 HG2 = 2.378(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.2991e-01 1.Q8 N = 119.737(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6610e-01 1.Q9 H = 8.510(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2305e-01 1.Q9 HA = 4.342(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7002e-01 1.Q9 HG2 = 2.395(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.8118e-01 1.Q9 N = 121.344(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.8629e-01 1.M10 C = 176.653(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.2096e-01 1.M10 CA = 55.724(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.6258e-01 1.M10 H = 8.434(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.7182e-01 1.M10 HA = 4.490(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.6763e-01 1.M10 HB2 = 2.041(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.7419e-01 1.M10 HB3 = 2.117(D), Expected = 1.99, Std = 0.3400, ChiSquare = 7.0875e-01 1.M10 N = 121.487(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.9556e-01 1.G11 C = 173.770(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5758e-01 1.G11 H = 8.440(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.6562e-01 1.G11 N = 109.906(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5137e-01 1.R12 C = 175.670(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.1546e-01 1.R12 CB = 31.244(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.6626e-01 1.R12 H = 8.134(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6205e-01 1.R12 HA = 4.388(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.4829e-01 1.R12 N = 120.024(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3299e-01 1.D13 CA = 52.392(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.5763e-01 1.D13 CB = 41.155(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6520e-01 1.D13 H = 8.458(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9859e-01 1.D13 HA = 4.888(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.5172e-01 1.D13 HB2 = 2.795(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.7299e-01 1.D13 HB3 = 2.594(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.1365e-01 1.D13 N = 123.010(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.4094e-01 1.P14 C = 177.094(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.1979e-01 1.P14 CA = 63.810(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.5216e-01 1.P14 CB = 32.189(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.7389e-01 1.P14 CG = 27.333(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.8113e-01 1.P14 CD = 50.845(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.9590e-01 1.P14 HA = 4.279(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.1387e-01 1.P14 HB2 = 2.254(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.1909e-01 1.P14 HB3 = 1.953(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.9613e-01 1.P14 HG2 = 2.002(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.1634e-01 1.P14 HG3 = 1.982(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.0376e-01 1.P14 HD2 = 3.827(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.1306e-01 1.P14 HD3 = 3.885(D), Expected = 3.61, Std = 0.3900, ChiSquare = 4.8073e-01 1.D15 C = 176.744(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.4416e-01 1.D15 CA = 55.065(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5344e-01 1.D15 CB = 41.130(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.7736e-01 1.D15 H = 8.361(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2993e-01 1.D15 HA = 4.596(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.8504e-01 1.D15 N = 118.764(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.2512e-01 1.K16 C = 176.502(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.4499e-01 1.K16 CA = 56.645(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8974e-01 1.K16 CB = 32.863(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.6729e-01 1.K16 CG = 24.558(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.6891e-01 1.K16 CD = 28.981(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.8449e-01 1.K16 H = 7.906(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.3598e-01 1.K16 HA = 4.228(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2395e-01 1.K16 HB2 = 1.746(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.9182e-01 1.K16 HB3 = 1.713(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.2034e-01 1.K16 HG2 = 1.277(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.2057e-01 1.K16 HG3 = 1.254(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.3171e-01 1.K16 HD2 = 1.618(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.7099e-01 1.K16 HD3 = 1.679(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.1953e-01 1.K16 N = 120.220(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2575e-01 1.W17 C = 176.279(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.3695e-01 1.W17 CA = 57.323(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.9608e-01 1.W17 CB = 29.204(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.8842e-01 1.W17 H = 7.949(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.6600e-01 1.W17 HA = 4.672(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.8796e-01 1.W17 HB2 = 3.280(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.9707e-01 1.W17 HB3 = 3.298(D), Expected = 3.12, Std = 0.3600, ChiSquare = 6.2099e-01 1.W17 N = 120.338(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.4817e-01 1.Q18 C = 175.783(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.8696e-01 1.Q18 CA = 56.343(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.1552e-01 1.Q18 CB = 28.931(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8684e-01 1.Q18 H = 8.020(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.3462e-01 1.Q18 HA = 4.165(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.1139e-01 1.Q18 N = 120.811(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9808e-01 1.H19 C = 174.485(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.9778e-01 1.H19 CA = 56.254(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.0833e-01 1.H19 H = 8.209(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.6364e-01 1.H19 HA = 4.559(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.0559e-01 1.H19 N = 119.007(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.6442e-01 1.D20 C = 176.167(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.9408e-01 1.D20 CA = 54.868(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3013e-01 1.D20 CB = 41.224(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.3184e-01 1.D20 H = 8.414(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5769e-01 1.D20 HA = 4.574(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.6012e-01 1.D20 N = 120.625(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.9483e-01 1.L21 C = 177.236(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.0112e-01 1.L21 CA = 55.705(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6817e-01 1.L21 CB = 42.266(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8133e-01 1.L21 CG = 26.681(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.2829e-01 1.L21 H = 8.069(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0437e-01 1.L21 HA = 4.236(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.5815e-01 1.L21 HB2 = 1.500(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.4629e-01 1.L21 HB3 = 1.404(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.4728e-01 1.L21 N = 121.498(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2605e-01 1.F22 C = 175.525(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.5792e-01 1.F22 CA = 57.817(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.1849e-01 1.F22 CB = 39.285(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.3588e-01 1.F22 H = 8.123(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.4203e-01 1.F22 HA = 4.617(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.8180e-01 1.F22 HB2 = 3.194(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.0005e-01 1.F22 HB3 = 3.026(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.1033e-01 1.F22 HD2 = 7.275(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.8797e-01 1.F22 N = 119.494(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.1910e-01 1.D23 CA = 54.243(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.2572e-01 1.D23 CB = 41.562(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.7376e-01 1.D23 H = 8.204(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5499e-01 1.D23 HA = 4.662(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.2198e-01 1.D23 HB2 = 2.678(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.7167e-01 1.D23 HB3 = 2.743(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.6690e-01 1.D23 N = 121.761(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7348e-01 1.E58 HG2 = 1.573(S), Expected = 2.27, Std = 0.2100, ChiSquare = 9.0325e-04 1.G60 C = 184.935(A), Expected = 173.87, Std = 1.8800, ChiSquare = 3.9652e-09 1.A92 HA = 2.562(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.1381e-04 2.V15 HG11 = -0.411(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.8143e-06 2.V15 HG12 = -0.411(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.8143e-06 2.V15 HG13 = -0.411(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.8143e-06