Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.060 CA :: 58.749 CB :: 63.910 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.442 HB2 :: 3.884 HB3 :: 3.884 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 173.983 CA :: 45.418 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.399 HA2 :: 3.938 HA3 :: 3.938 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.673 Ave N Shift Values>> N :: 109.91(4.29) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.38 A 0.14 C Shift Assignments>> C :: 176.114 CA :: 55.408 CB :: 33.164 CG :: 31.931 CE :: 16.963 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.110 HA :: 4.480 HB2 :: 1.942 HB3 :: 2.008 HG2 :: 2.463 HG3 :: 2.463 HE1 :: 1.974 HE2 :: 1.974 HE3 :: 1.974 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.743 Ave N Shift Values>> N :: 120.1(3.88) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.668 CA :: 57.905 CB :: 63.910 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.529 HA :: 4.492 HB2 :: 3.846 HB3 :: 3.846 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.950 Ave N Shift Values>> N :: 116.3(3.95) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.28 C 0.17 K 0.16 I 0.01 G 0.01 C Shift Assignments>> C :: 177.779 CA :: 55.759 CB :: 42.289 CG :: 26.842 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.474 HA :: 4.329 HB2 :: 1.630 HB3 :: 1.529 HG :: 1.603 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.525 Ave N Shift Values>> N :: 121.98(4.07) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.276 CA :: 58.960 CB :: 64.075 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.300 HA :: 4.388 HB2 :: 3.902 HB3 :: 3.761 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.659 Ave N Shift Values>> N :: 116.3(3.95) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.22 K 0.16 C 0.11 F 0.09 Y 0.08 R 0.04 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 175.869 CA :: 54.704 CB :: 41.303 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.175 HA :: 4.638 HB2 :: 2.680 HB3 :: 2.581 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.603 Ave N Shift Values>> N :: 120.73(4.2) 1.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.42 H 0.03 C Shift Assignments>> C :: 174.252 CA :: 57.202 CB :: 29.629 CD1 :: 126.721 CE3 :: 120.421 CZ2 :: 114.507 CZ3 :: 121.673 CH2 :: 124.441 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.410 HA :: 4.468 HB2 :: 3.310 HB3 :: 3.080 HD1 :: 7.119 HE1 :: 9.743 HE3 :: 7.282 HZ2 :: 7.372 HZ3 :: 6.825 HH2 :: 7.046 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.226 NE1 :: 127.851 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 H 0.39 W 0.15 C Shift Assignments>> C :: 173.419 CA :: 54.755 CB :: 32.342 CD2 :: 117.790 CE1 :: 138.635 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.536 HA :: 5.456 HB2 :: 2.890 HB3 :: 2.949 HD2 :: 6.510 HE1 :: 7.723 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.976 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.32 L 0.18 C Shift Assignments>> C :: 174.472 CA :: 53.578 CB :: 46.400 CG :: 27.092 CD1 :: 25.025 CD2 :: 26.601 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.844 HA :: 4.680 HB2 :: 1.304 HB3 :: 1.438 HG :: 1.489 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.742 Ave N Shift Values>> N :: 121.98(4.07) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.09 C 0.04 L 0.02 C Shift Assignments>> C :: 175.771 CA :: 50.483 CB :: 20.591 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.836 HA :: 5.177 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.060 Ave N Shift Values>> N :: 123.23(3.7) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.207 CA :: 60.754 CB :: 33.904 CG1 :: 21.984 CG2 :: 20.960 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.055 HA :: 4.830 HB :: 1.788 HG11 :: 0.675 HG12 :: 0.675 HG13 :: 0.675 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.724 Ave N Shift Values>> N :: 121.02(4.96) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.36 R 0.2 G 0.02 C Shift Assignments>> C :: 174.913 CA :: 53.543 CB :: 35.466 CG :: 25.272 CD :: 28.805 CE :: 42.289 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.466 HA :: 4.718 HB2 :: 1.557 HB3 :: 0.928 HG2 :: 1.127 HG3 :: 1.127 HD2 :: 1.495 HD3 :: 1.580 HE2 :: 3.001 HE3 :: 3.001 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.856 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.33 A 0.1 C Shift Assignments>> C :: 177.461 CA :: 54.071 CB :: 40.542 CG :: 26.846 CD1 :: 22.559 CD2 :: 25.129 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.083 HA :: 4.605 HB2 :: 1.830 HB3 :: 1.514 HG :: 1.675 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.876 Ave N Shift Values>> N :: 121.98(4.07) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.43 C 0.04 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 177.853 CA :: 54.634 CB :: 19.284 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.673 HA :: 4.089 HB1 :: 1.393 HB2 :: 1.393 HB3 :: 1.393 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.849 Ave N Shift Values>> N :: 123.23(3.7) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.18 C 0.14 F 0.1 Y 0.09 K 0.08 R 0.01 C Shift Assignments>> C :: 175.526 CA :: 53.965 CB :: 40.645 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.463 HA :: 4.538 HB2 :: 2.581 HB3 :: 2.713 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.271 Ave N Shift Values>> N :: 120.73(4.2) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.21 M 0.16 R 0.04 E 0.04 C Shift Assignments>> C :: 174.003 CA :: 53.412 CB :: 29.876 CG :: 33.221 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.241 HA :: 4.896 HB2 :: 2.150 HB3 :: 1.834 HG2 :: 2.241 HG3 :: 2.241 HE21 :: 6.798 HE22 :: 7.579 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.253 NE2 :: 112.253 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 C Shift Assignments>> C :: 177.828 CA :: 64.924 CB :: 32.177 CG :: 27.245 CD :: 50.346 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.345 HB2 :: 2.342 HB3 :: 1.933 HG2 :: 1.932 HG3 :: 1.932 HD2 :: 3.444 HD3 :: 3.665 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 A 0.08 R 0.02 C Shift Assignments>> C :: 177.657 CA :: 54.669 CB :: 40.974 CG :: 27.087 CD1 :: 25.107 CD2 :: 22.395 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.652 HA :: 4.328 HB2 :: 1.587 HB3 :: 1.733 HG :: 1.562 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.803 HD22 :: 0.803 HD23 :: 0.803 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 121.98(4.07) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 175.383 CA :: 50.694 CB :: 18.112 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.670 HA :: 4.532 HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.782 Ave N Shift Values>> N :: 123.23(3.7) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.216 CA :: 62.490 CB :: 32.240 CG :: 27.333 CD :: 50.592 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.452 HB2 :: 1.899 HB3 :: 2.299 HG2 :: 2.006 HG3 :: 2.006 HD2 :: 3.636 HD3 :: 3.839 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.16 M 0.04 C Shift Assignments>> C :: 176.065 CA :: 56.463 CB :: 33.164 CG :: 24.807 CD :: 29.786 CE :: 41.808 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.495 HA :: 4.427 HB2 :: 1.587 HB3 :: 1.650 HG2 :: 1.286 HG3 :: 1.286 HD2 :: 1.563 HD3 :: 1.517 HE2 :: 2.883 HE3 :: 2.767 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.096 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.003 CA :: 57.905 CB :: 65.029 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.640 HA :: 4.707 HB2 :: 3.611 HB3 :: 3.680 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.629 Ave N Shift Values>> N :: 116.3(3.95) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 C Shift Assignments>> C :: 175.109 CA :: 59.523 CB :: 37.153 CG1 :: 26.842 CG2 :: 17.626 CD1 :: 10.570 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.688 HA :: 4.543 HB :: 1.849 HG12 :: 1.259 HG13 :: 1.324 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.188 Ave N Shift Values>> N :: 121.6(4.72) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.34 C 0.17 R 0.03 C Shift Assignments>> C :: 174.938 CA :: 53.192 CB :: 44.729 CG :: 27.043 CD1 :: 25.125 CD2 :: 26.111 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.162 HA :: 4.585 HB2 :: 1.623 HB3 :: 1.174 HG :: 1.377 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.095 Ave N Shift Values>> N :: 121.98(4.07) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.2 E 0.12 M 0.12 R 0.02 HN Overlap>> 1.Y72 1.Y72 1.K76 1.K76 C Shift Assignments>> C :: 175.550 CA :: 55.302 CB :: 29.786 CG :: 33.986 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.655 HA :: 4.530 HB2 :: 1.945 HB3 :: 2.088 HG2 :: 2.309 HG3 :: 2.264 HE21 :: 6.904 HE22 :: 7.715 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.157 NE2 :: 112.499 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.3 A 0.1 R 0.01 C Shift Assignments>> C :: 174.535 CA :: 52.840 CB :: 40.581 CG :: 27.578 CD1 :: 22.922 CD2 :: 25.129 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.342 HA :: 4.476 HB2 :: 1.365 HB3 :: 1.181 HG :: 1.384 HD11 :: 0.472 HD12 :: 0.472 HD13 :: 0.472 HD21 :: 0.273 HD22 :: 0.273 HD23 :: 0.273 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.365 Ave N Shift Values>> N :: 121.98(4.07) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.750 CA :: 62.633 CB :: 32.177 CG :: 27.409 CD :: 50.510 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.600 HB2 :: 2.068 HB3 :: 2.343 HG2 :: 2.135 HG3 :: 2.135 HD2 :: 3.749 HD3 :: 3.489 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 M 0.08 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.824 CA :: 56.532 CB :: 30.035 CG :: 36.370 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.668 HA :: 4.151 HB2 :: 1.873 HB3 :: 1.974 HG2 :: 2.158 HG3 :: 2.158 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.049 Ave N Shift Values>> N :: 120.68(3.68) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.085 CA :: 61.218 CB :: 70.222 CG2 :: 21.483 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.116 HA :: 4.399 HB :: 4.266 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.296 Ave N Shift Values>> N :: 115.7(5.05) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 I 0.07 M 0.07 Q 0.03 C Shift Assignments>> C :: 176.677 CA :: 57.237 CB :: 30.032 CG :: 36.411 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.511 HA :: 4.212 HB2 :: 2.051 HB3 :: 1.914 HG2 :: 2.150 HG3 :: 2.232 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.682 Ave N Shift Values>> N :: 120.68(3.68) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.07 A 0.01 G 0.01 C Shift Assignments>> C :: 177.755 CA :: 55.337 CB :: 42.053 CG :: 27.163 CD1 :: 24.943 CD2 :: 23.381 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.028 HA :: 4.200 HB2 :: 1.543 HB3 :: 1.543 HG :: 1.549 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.138 Ave N Shift Values>> N :: 121.98(4.07) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.221 CA :: 45.664 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.106 HA2 :: 3.948 HA3 :: 3.738 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.227 Ave N Shift Values>> N :: 109.91(4.29) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.34 C 0.32 M 0.11 K 0.09 Q 0.07 I 0.03 C Shift Assignments>> C :: 175.942 CA :: 56.498 CB :: 30.277 CG :: 35.920 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.151 HB2 :: 1.767 HB3 :: 1.852 HG2 :: 2.003 HG3 :: 2.003 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 175.501 CA :: 57.624 CB :: 38.287 CD1 :: 133.095 CD2 :: 133.095 CE1 :: 118.102 CE2 :: 118.102 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.076 HA :: 4.438 HB2 :: 2.675 HB3 :: 2.801 HD1 :: 6.882 HD2 :: 6.882 HE1 :: 6.667 HE2 :: 6.667 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.866 Ave N Shift Values>> N :: 120.79(4.69) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.305 CA :: 57.588 CB :: 63.992 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.912 HA :: 4.442 HB2 :: 3.716 HB3 :: 3.822 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.690 Ave N Shift Values>> N :: 116.3(3.95) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 R 0.03 C Shift Assignments>> C :: 177.167 CA :: 56.640 CB :: 41.068 CG :: 27.092 CD1 :: 25.370 CD2 :: 24.148 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.058 HA :: 3.731 HB2 :: 1.115 HB3 :: 1.202 HG :: 1.479 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 HD21 :: 0.543 HD22 :: 0.543 HD23 :: 0.543 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.581 Ave N Shift Values>> N :: 121.98(4.07) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 174.374 CA :: 46.156 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.982 HA2 :: 3.696 HA3 :: 3.864 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.059 Ave N Shift Values>> N :: 109.91(4.29) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.16 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.521 CA :: 44.749 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.657 HA2 :: 3.526 HA3 :: 4.112 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.570 Ave N Shift Values>> N :: 109.91(4.29) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 174.913 CA :: 56.850 CB :: 38.630 CD1 :: 132.148 CD2 :: 132.148 CE1 :: 117.736 CE2 :: 117.736 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.450 HA :: 4.568 HB2 :: 2.894 HB3 :: 2.993 HD1 :: 6.780 HD2 :: 6.780 HE1 :: 6.509 HE2 :: 6.509 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.108 Ave N Shift Values>> N :: 120.79(4.69) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.501 CA :: 56.763 CB :: 65.719 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.366 HA :: 5.010 HB2 :: 4.430 HB3 :: 4.013 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.488 Ave N Shift Values>> N :: 116.3(3.95) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 I 0.25 M 0.01 C Shift Assignments>> C :: 178.979 CA :: 61.749 CB :: 34.202 CG1 :: 27.843 CG2 :: 18.284 CD1 :: 9.967 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.579 HA :: 3.825 HB :: 2.726 HG12 :: 1.385 HG13 :: 1.854 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.270 Ave N Shift Values>> N :: 121.6(4.72) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.971 CA :: 62.232 CB :: 62.677 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.861 HA :: 3.946 HB2 :: 3.858 HB3 :: 3.942 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.797 Ave N Shift Values>> N :: 116.3(3.95) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 177.559 CA :: 60.650 CB :: 38.742 CD1 :: 131.562 CD2 :: 131.562 CE1 :: 131.069 CE2 :: 131.069 CZ :: 129.450 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.072 HA :: 4.292 HB2 :: 3.221 HB3 :: 3.349 HD1 :: 6.971 HD2 :: 6.971 HE1 :: 6.868 HE2 :: 6.868 HZ :: 7.034 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.401 Ave N Shift Values>> N :: 120.69(4.18) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.34 R 0.05 HN Overlap>> 1.D12 1.D12 C Shift Assignments>> C :: 178.636 CA :: 57.729 CB :: 41.509 CG :: 26.842 CD1 :: 25.370 CD2 :: 23.898 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.214 HA :: 3.780 HB2 :: 1.937 HB3 :: 1.518 HG :: 1.564 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.707 Ave N Shift Values>> N :: 121.98(4.07) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.38 G 0.14 K 0.01 C Shift Assignments>> C :: 178.147 CA :: 61.581 CB :: 33.221 CG :: 28.069 CD :: 30.032 CE :: 43.276 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.616 HA :: 3.632 HB2 :: 2.141 HB3 :: 1.705 HG2 :: 0.877 HG3 :: 1.753 HD2 :: 1.674 HD3 :: 1.872 HE2 :: 2.773 HE3 :: 2.645 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.627 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.22 Q 0.22 R 0.09 E 0.07 I 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 179.077 CA :: 59.098 CB :: 27.835 CG :: 33.712 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.567 HA :: 3.742 HB2 :: 2.187 HB3 :: 2.017 HG2 :: 2.300 HG3 :: 2.463 HE21 :: 7.316 HE22 :: 6.821 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.805 NE2 :: 111.741 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 R 0.04 G 0.01 C Shift Assignments>> C :: 179.837 CA :: 57.496 CB :: 42.207 CG :: 26.152 CD1 :: 23.874 CD2 :: 25.129 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.088 HA :: 3.885 HB2 :: 1.396 HB3 :: 1.454 HG :: 1.198 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.602 HD22 :: 0.602 HD23 :: 0.602 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.127 Ave N Shift Values>> N :: 121.98(4.07) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 176.848 CA :: 66.073 CB :: 38.348 CG1 :: 31.013 CG2 :: 17.380 CD1 :: 15.154 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.363 HA :: 3.287 HB :: 1.750 HG12 :: 0.650 HG13 :: 1.792 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 HD11 :: 0.593 HD12 :: 0.593 HD13 :: 0.593 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.926 Ave N Shift Values>> N :: 121.6(4.72) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 179.322 CA :: 54.599 CB :: 18.367 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.184 HA :: 4.095 HB1 :: 1.281 HB2 :: 1.281 HB3 :: 1.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.020 Ave N Shift Values>> N :: 123.23(3.7) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 175.526 CA :: 46.227 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.692 HA2 :: 3.766 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.158 Ave N Shift Values>> N :: 109.91(4.29) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.17 M 0.01 C Shift Assignments>> C :: 177.436 CA :: 56.533 CB :: 33.575 CG :: 24.696 CD :: 28.314 CE :: 42.125 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.590 HA :: 4.396 HB2 :: 1.789 HB3 :: 1.839 HG2 :: 1.459 HG3 :: 1.459 HD2 :: 1.650 HD3 :: 1.716 HE2 :: 2.988 HE3 :: 2.988 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.581 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 A 0.05 C Shift Assignments>> C :: 177.069 CA :: 53.403 CB :: 40.398 CG :: 27.080 CD1 :: 25.765 CD2 :: 23.299 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.313 HA :: 4.722 HB2 :: 1.618 HB3 :: 1.618 HG :: 1.524 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.312 Ave N Shift Values>> N :: 121.98(4.07) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.23 E 0.13 R 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 176.946 CA :: 58.795 CB :: 28.805 CG :: 33.957 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.471 HA :: 4.031 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.387 HG3 :: 2.387 HE21 :: 7.605 HE22 :: 6.766 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.287 NE2 :: 111.968 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 I 0.17 K 0.08 Q 0.02 M 0.01 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> C :: 177.485 CA :: 58.451 CB :: 29.053 CG :: 36.452 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.602 HA :: 4.081 HB2 :: 1.963 HB3 :: 2.014 HG2 :: 2.250 HG3 :: 2.250 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.352 Ave N Shift Values>> N :: 120.68(3.68) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.836 CA :: 59.699 CB :: 64.868 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.714 HA :: 4.485 HB2 :: 3.815 HB3 :: 3.672 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.917 Ave N Shift Values>> N :: 116.3(3.95) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 C Shift Assignments>> C :: 171.435 CA :: 59.105 CB :: 32.753 CG1 :: 22.431 CG2 :: 20.780 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.076 HA :: 4.337 HB :: 1.997 HG11 :: 0.705 HG12 :: 0.705 HG13 :: 0.705 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.996 Ave N Shift Values>> N :: 121.02(4.96) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.334 CA :: 63.674 CB :: 32.095 CG :: 27.092 CD :: 49.935 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.426 HB2 :: 1.899 HB3 :: 2.297 HG2 :: 1.824 HG3 :: 1.907 HD2 :: 3.275 HD3 :: 3.460 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.24 L 0.22 D 0.2 C 0.15 R 0.1 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.698 CA :: 50.929 CB :: 43.029 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.543 HA :: 4.971 HB2 :: 2.455 HB3 :: 2.660 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.434 Ave N Shift Values>> N :: 120.73(4.2) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.946 CA :: 64.617 CB :: 31.749 CG :: 26.842 CD :: 51.088 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.960 HB2 :: 1.935 HB3 :: 2.046 HG2 :: 1.900 HG3 :: 2.045 HD2 :: 3.475 HD3 :: 4.072 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.15 K 0.08 Q 0.02 M 0.02 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> C :: 177.363 CA :: 57.835 CB :: 29.053 CG :: 36.656 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.606 HA :: 4.161 HB2 :: 2.040 HB3 :: 1.944 HG2 :: 2.218 HG3 :: 2.336 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.356 Ave N Shift Values>> N :: 120.68(3.68) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.22 A 0.09 R 0.09 G 0.03 C Shift Assignments>> C :: 176.530 CA :: 54.106 CB :: 42.544 CG :: 27.087 CD1 :: 25.601 CD2 :: 22.395 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.604 HA :: 4.418 HB2 :: 1.918 HB3 :: 1.655 HG :: 1.464 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.216 Ave N Shift Values>> N :: 121.98(4.07) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.4 G 0.01 A 0.01 C Shift Assignments>> C :: 174.056 CA :: 59.429 CB :: 41.796 CG1 :: 25.620 CG2 :: 19.626 CD1 :: 14.164 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.129 HA :: 5.038 HB :: 1.791 HG12 :: 1.034 HG13 :: 1.527 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 111.393 Ave N Shift Values>> N :: 121.6(4.72) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.13 C 0.09 R 0.03 D 0.01 C Shift Assignments>> C :: 175.109 CA :: 52.992 CB :: 45.108 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.089 HA :: 4.925 HB2 :: 2.341 HB3 :: 2.341 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.576 Ave N Shift Values>> N :: 120.73(4.2) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 C 0.15 R 0.01 HN Overlap>> 1.D84 1.D84 C Shift Assignments>> C :: 174.938 CA :: 52.746 CB :: 45.167 CG :: 27.089 CD1 :: 24.696 CD2 :: 26.601 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.841 HA :: 5.437 HB2 :: 1.493 HB3 :: 1.130 HG :: 1.455 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.544 Ave N Shift Values>> N :: 121.98(4.07) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.42 A 0.01 C Shift Assignments>> C :: 175.403 CA :: 58.535 CB :: 40.152 CG1 :: 28.069 CG2 :: 17.544 CD1 :: 12.580 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.142 HA :: 4.919 HB :: 1.656 HG12 :: 1.223 HG13 :: 1.023 HG21 :: 0.561 HG22 :: 0.561 HG23 :: 0.561 HD11 :: 0.620 HD12 :: 0.620 HD13 :: 0.620 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.340 Ave N Shift Values>> N :: 121.6(4.72) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Y 0.43 G 0.11 HN Overlap>> 1.Q31 1.K76 1.Q31 1.K76 C Shift Assignments>> C :: 175.020 CA :: 56.164 CB :: 43.029 CD1 :: 133.572 CD2 :: 133.572 CE1 :: 119.546 CE2 :: 119.546 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.701 HA :: 5.272 HB2 :: 2.773 HB3 :: 2.871 HD1 :: 7.305 HD2 :: 7.305 HE1 :: 6.990 HE2 :: 6.990 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.178 Ave N Shift Values>> N :: 120.79(4.69) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.38 C 0.16 R 0.11 K 0.09 P 0.08 W 0.04 L 0.03 Q 0.02 H 0.01 V 0.01 E 0.01 C Shift Assignments>> C :: 175.158 CA :: 60.673 CB :: 25.860 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 3.668 HB2 :: 2.780 HB3 :: 2.389 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.297 CA :: 45.383 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.179 HA2 :: 4.030 HA3 :: 3.330 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.667 Ave N Shift Values>> N :: 109.91(4.29) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.31 G 0.24 K 0.03 C Shift Assignments>> C :: 174.325 CA :: 54.704 CB :: 32.485 CG :: 26.669 CD :: 44.192 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.733 HA :: 4.540 HB2 :: 1.893 HB3 :: 1.832 HG2 :: 1.717 HG3 :: 1.616 HD2 :: 3.324 HD3 :: 3.324 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.678 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.03 HN Overlap>> 1.Y72 1.Q31 1.Y72 1.Q31 C Shift Assignments>> C :: 176.554 CA :: 56.674 CB :: 32.225 CG :: 25.370 CD :: 29.300 CE :: 41.960 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.631 HA :: 4.453 HB2 :: 1.667 HB3 :: 1.667 HG2 :: 1.225 HG3 :: 1.299 HD2 :: 1.612 HD3 :: 1.612 HE2 :: 2.863 HE3 :: 2.897 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.122 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.63 C 0.25 L 0.07 G 0.01 R 0.01 C Shift Assignments>> C :: 176.701 CA :: 54.352 CB :: 42.125 CG :: 25.370 CD1 :: 25.436 CD2 :: 19.237 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.435 HA :: 4.068 HB2 :: 1.493 HB3 :: 1.053 HG :: 1.570 HD11 :: 0.498 HD12 :: 0.498 HD13 :: 0.498 HD21 :: -0.256(S) HD22 :: -0.256(S) HD23 :: -0.256(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.591 Ave N Shift Values>> N :: 121.98(4.07) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.02 C Shift Assignments>> C :: 177.191 CA :: 56.076 CB :: 33.957 CG :: 25.272 CD :: 29.382 CE :: 42.043 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.539 HA :: 4.430 HB2 :: 2.002 HB3 :: 1.840 HG2 :: 1.550 HG3 :: 1.642 HD2 :: 1.749 HD3 :: 1.749 HE2 :: 3.075 HE3 :: 3.075 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.780 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.17 L 0.14 C 0.13 Y 0.13 R 0.09 D 0.06 I 0.03 C Shift Assignments>> C :: 176.065 CA :: 57.729 CB :: 41.632 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.260 HA :: 4.241 HB2 :: 2.563 HB3 :: 2.656 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.218 Ave N Shift Values>> N :: 120.73(4.2) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 C 0.19 L 0.12 F 0.11 Y 0.11 K 0.02 C Shift Assignments>> C :: 176.775 CA :: 53.367 CB :: 39.855 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.218 HA :: 4.666 HB2 :: 2.591 HB3 :: 2.818 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.466 Ave N Shift Values>> N :: 120.73(4.2) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.31 K 0.15 Q 0.14 R 0.04 E 0.01 C Shift Assignments>> C :: 175.036 CA :: 53.719 CB :: 30.698 CG :: 32.240 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.480 HA :: 4.593 HB2 :: 1.914 HB3 :: 2.101 HG2 :: 2.060 HG3 :: 1.854 HE21 :: 5.872 HE22 :: 6.568 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.973 NE2 :: 110.191 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 175.991 CA :: 59.845 CB :: 71.967 CG2 :: 21.740 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.583 HA :: 5.281 HB :: 4.793 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.822 Ave N Shift Values>> N :: 115.7(5.05) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.22 R 0.1 K 0.03 C Shift Assignments>> C :: 180.131 CA :: 59.849 CB :: 40.766 CG :: 28.563 CD1 :: 24.532 CD2 :: 25.865 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.074 HA :: 4.044 HB2 :: 1.622 HB3 :: 2.041 HG :: 1.799 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.127 Ave N Shift Values>> N :: 121.98(4.07) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.18 C 0.16 D 0.14 L 0.13 K 0.1 I 0.03 R 0.01 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 179.371 CA :: 56.709 CB :: 40.483 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.823 HA :: 4.488 HB2 :: 2.516 HB3 :: 2.516 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.459 Ave N Shift Values>> N :: 120.73(4.2) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 177.240 CA :: 61.600 CB :: 39.363 CD1 :: 131.717 CD2 :: 131.717 CE1 :: 131.141 CE2 :: 131.141 CZ :: 129.433 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.032 HA :: 3.971 HB2 :: 3.202 HB3 :: 2.930 HD1 :: 6.179 HD2 :: 6.179 HE1 :: 7.045 HE2 :: 7.045 HZ :: 7.117 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.293 Ave N Shift Values>> N :: 120.69(4.18) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 175.428 CA :: 58.925 CB :: 40.457 CD1 :: 133.713 CD2 :: 133.713 CE1 :: 119.299 CE2 :: 119.299 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.085 HA :: 4.380 HB2 :: 3.388 HB3 :: 2.555 HD1 :: 7.328 HD2 :: 7.328 HE1 :: 7.074 HE2 :: 7.074 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.037 Ave N Shift Values>> N :: 120.79(4.69) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 174.913 CA :: 46.262 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.993 HA2 :: 3.905 HA3 :: 4.043 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.923 Ave N Shift Values>> N :: 109.91(4.29) 1.I88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 174.203 CA :: 63.076 CB :: 37.325 CG1 :: 27.828 CG2 :: 17.526 CD1 :: 13.926 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.412 HA :: 3.269 HB :: 1.444 HG12 :: -0.632(S) HG13 :: 1.045 HG21 :: 0.541 HG22 :: 0.541 HG23 :: 0.541 HD11 :: 0.423 HD12 :: 0.423 HD13 :: 0.423 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.906 Ave N Shift Values>> N :: 121.6(4.72) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.25 K 0.22 M 0.14 R 0.05 E 0.03 C Shift Assignments>> C :: 173.324 CA :: 53.016 CB :: 29.711 CG :: 33.221 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.684 HA :: 4.578 HB2 :: 2.004 HB3 :: 1.656 HG2 :: 2.296 HG3 :: 2.296 HE21 :: 6.810 HE22 :: 7.360 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.638 NE2 :: 112.765 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.338 CA :: 63.850 CB :: 31.174 CG :: 27.582 CD :: 50.039 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.905 HB2 :: 1.905 HB3 :: 1.643 HG2 :: 0.832 HG3 :: 1.664 HD2 :: 2.894 HD3 :: 3.280 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.717 CA :: 44.785 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.795 HA2 :: 3.233 HA3 :: 4.165 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.913 Ave N Shift Values>> N :: 109.91(4.29) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.239 CA :: 60.613 CB :: 64.815 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.941 HA :: 4.544 HB2 :: 4.068 HB3 :: 3.919 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.483 Ave N Shift Values>> N :: 116.3(3.95) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.497 CA :: 61.985 CB :: 70.238 CG2 :: 21.205 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.702 HA :: 5.317 HB :: 4.010 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.842 Ave N Shift Values>> N :: 115.7(5.05) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 C Shift Assignments>> C :: 173.419 CA :: 59.912 CB :: 34.562 CG1 :: 21.969 CG2 :: 20.422 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.006 HA :: 4.887 HB :: 1.932 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.053 Ave N Shift Values>> N :: 121.02(4.96) 1.H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 H 0.31 W 0.18 C Shift Assignments>> C :: 175.256 CA :: 55.525 CB :: 33.164 CD2 :: 118.238 CE1 :: 138.566 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.083 HA :: 5.385 HB2 :: 2.678 HB3 :: 3.008 HD2 :: 6.771 HE1 :: 7.608 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.985 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.962 CA :: 61.385 CB :: 33.712 CG1 :: 21.941 CG2 :: 22.186 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.925 HA :: 4.562 HB :: 1.993 HG11 :: 0.813 HG12 :: 0.813 HG13 :: 0.813 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.228 Ave N Shift Values>> N :: 121.02(4.96) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.25 C 0.23 A 0.01 C Shift Assignments>> C :: 175.624 CA :: 53.473 CB :: 45.989 CG :: 27.531 CD1 :: 25.930 CD2 :: 24.203 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.993 HA :: 4.743 HB2 :: 1.169 HB3 :: 1.672 HG :: 1.528 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.743 Ave N Shift Values>> N :: 121.98(4.07) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.14 G 0.06 C Shift Assignments>> C :: 176.971 CA :: 56.955 CB :: 30.277 CG :: 28.069 CD :: 43.276 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.187 HA :: 4.442 HB2 :: 1.775 HB3 :: 1.855 HG2 :: 1.602 HG3 :: 1.726 HD2 :: 3.147 HD3 :: 3.147 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.547 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.31 R 0.3 M 0.01 G 0.01 C Shift Assignments>> C :: 176.677 CA :: 57.088 CB :: 33.742 CG :: 26.012 CD :: 29.786 CE :: 42.289 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.349 HA :: 4.155 HB2 :: 1.654 HB3 :: 1.403 HG2 :: 0.999 HG3 :: 1.287 HD2 :: 1.522 HD3 :: 1.570 HE2 :: 2.751 HE3 :: 2.751 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.317 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.958 CA :: 58.116 CB :: 63.828 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.264 HA :: 4.389 HB2 :: 3.801 HB3 :: 3.801 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.215 Ave N Shift Values>> N :: 116.3(3.95) 1.W101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.43 H 0.04 C Shift Assignments>> C :: 175.942 CA :: 57.588 CB :: 29.965 CD1 :: 127.449 CE3 :: 120.982 CZ2 :: 114.507 CZ3 :: 122.147 CH2 :: 124.657 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.219 HA :: 4.674 HB2 :: 3.216 HB3 :: 3.274 HD1 :: 7.239 HE1 :: 10.109 HE3 :: 7.557 HZ2 :: 7.437 HZ3 :: 7.082 HH2 :: 7.177 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.511 NE1 :: 129.659 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.860 CA :: 57.835 CB :: 64.075 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.075 HA :: 4.338 HB2 :: 3.835 HB3 :: 3.683 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.768 Ave N Shift Values>> N :: 116.3(3.95) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.21 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.411 CA :: 44.468 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.247 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.849 Ave N Shift Values>> N :: 109.91(4.29) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.363 CA :: 63.181 CB :: 32.095 CG :: 27.080 CD :: 49.770 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.442 HB2 :: 1.956 HB3 :: 2.292 HG2 :: 2.000 HG3 :: 2.000 HD2 :: 3.564 HD3 :: 3.564 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.644 CA :: 58.433 CB :: 63.746 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.522 HA :: 4.457 HB2 :: 3.859 HB3 :: 3.859 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.492 Ave N Shift Values>> N :: 116.3(3.95) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.881 CA :: 58.433 CB :: 63.746 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.295 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.793 Ave N Shift Values>> N :: 116.3(3.95) 1.G107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 101 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 107 #Suspicious: 0 C Shift Results: #Consistent: 461 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 719 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 99 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L77 HD21 = -0.256(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.8499e-04 1.L77 HD22 = -0.256(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.8499e-04 1.L77 HD23 = -0.256(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.8499e-04 1.I88 HG12 = -0.632(S), Expected = 1.30, Std = 0.4000, ChiSquare = 1.3653e-06